Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 19713-37-2
CAS Name: N,N-bis[2-(3,4-dimethoxyphenyl)ethyl]formamide
OPENEYE Name: N,N-bis[2-(3,4-dimethoxyphenyl)ethyl]formamide
IUPAC Name: N,N-bis[2-(3,4-dimethoxyphenyl)ethyl]formamide
SYSTEMATIC NAME: N,N-bis[2-(3,4-dimethoxyphenyl)ethyl]methanamide
MOLECULAR FORMULA: C21H27NO5
MOLECULAR WEIGHT: 373.44278
SMILES: COC1=C(C=C(C=C1)CCN(CCC2=CC(=C(C=C2)OC)OC)C=O)OC
Structure:

CAS RN: 69037-92-9
CAS Name: 2-(hexadecylthio)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-hexadecylsulfanyl-5,6-dimethoxy-3-methyl-1,4-benzoquinone
IUPAC Name: 2-hexadecylsulfanyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-hexadecylsulfanyl-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C25H42O4S
MOLECULAR WEIGHT: 438.66358
SMILES: CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)C
Structure:

CAS RN: 67304-47-6
CAS Name: 3-(hexadecylthio)-4-hydroxynaphthalene-1,2-dione
OPENEYE Name: 3-hexadecylsulfanyl-4-hydroxy-naphthalene-1,2-dione
IUPAC Name: 3-hexadecylsulfanyl-4-hydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 3-hexadecylsulfanyl-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C26H38O3S
MOLECULAR WEIGHT: 430.64312
SMILES: CCCCCCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O
Structure:

CAS RN: 67304-42-1
CAS Name: 2-amino-3-(dodecylthio)naphthalene-1,4-dione
OPENEYE Name: 2-amino-3-dodecylsulfanyl-naphthalene-1,4-dione
IUPAC Name: 2-amino-3-dodecylsulfanylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-3-dodecylsulfanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C22H31NO2S
MOLECULAR WEIGHT: 373.55204
SMILES: CCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N
Structure:

CAS RN: 67304-44-3
CAS Name: 2-amino-3-(octadecylthio)naphthalene-1,4-dione
OPENEYE Name: 2-amino-3-octadecylsulfanyl-naphthalene-1,4-dione
IUPAC Name: 2-amino-3-octadecylsulfanylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-3-octadecylsulfanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C28H43NO2S
MOLECULAR WEIGHT: 457.71152
SMILES: CCCCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N
Structure:

CAS RN: 67304-43-2
CAS Name: 2-amino-3-(hexadecylthio)naphthalene-1,4-dione
OPENEYE Name: 2-amino-3-hexadecylsulfanyl-naphthalene-1,4-dione
IUPAC Name: 2-amino-3-hexadecylsulfanylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-3-hexadecylsulfanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C26H39NO2S
MOLECULAR WEIGHT: 429.65836
SMILES: CCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N
Structure:

CAS RN: 65176-97-8
CAS Name: 2-phenyl-3-[4-(2,2,4-trimethyl-3H-1-benzothiopyran-4-yl)phenyl]-4-quinazolinone
OPENEYE Name: 2-phenyl-3-[4-(2,2,4-trimethylthiochroman-4-yl)phenyl]quinazolin-4-one
IUPAC Name: 2-phenyl-3-[4-(2,2,4-trimethyl-3H-thiochromen-4-yl)phenyl]quinazolin-4-one
SYSTEMATIC NAME: 2-phenyl-3-[4-(2,2,4-trimethyl-3H-thiochromen-4-yl)phenyl]quinazolin-4-one
MOLECULAR FORMULA: C32H28N2OS
MOLECULAR WEIGHT: 488.64252
SMILES: CC1(CC(C2=CC=CC=C2S1)(C)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)C
Structure:

CAS RN: 51102-05-7
CAS Name: acetic acid [7,12-diacetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [7,12-diacetoxy-10,13-dimethyl-17-(1-methyl-4,4-diphenyl-but-3-enyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [7,12-diacetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [7,12-diacetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C42H54O6
MOLECULAR WEIGHT: 654.87456
SMILES: CC(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C
Structure:

CAS RN: 61543-87-1
CAS Name: acetic acid [7,12-diacetyloxy-17-(5,5-diphenylpenta-2,4-dien-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [7,12-diacetoxy-10,13-dimethyl-17-(1-methyl-4,4-diphenyl-buta-1,3-dienyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [7,12-diacetyloxy-17-(5,5-diphenylpenta-2,4-dien-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [7,12-diacetyloxy-17-(5,5-diphenylpenta-2,4-dien-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C42H52O6
MOLECULAR WEIGHT: 652.85868
SMILES: CC(=CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C
Structure:

CAS RN: 80784-80-1
CAS Name: 6-phenyl-1,3,5-thiadiazine-2,4-dione
OPENEYE Name: 6-phenyl-1,3,5-thiadiazine-2,4-dione
IUPAC Name: 6-phenyl-1,3,5-thiadiazine-2,4-dione
SYSTEMATIC NAME: 6-phenyl-1,3,5-thiadiazine-2,4-dione
MOLECULAR FORMULA: C9H6N2O2S
MOLECULAR WEIGHT: 206.22114
SMILES: C1=CC=C(C=C1)C2=NC(=O)NC(=O)S2
Structure:

CAS RN: 80784-83-4
CAS Name: 6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione
OPENEYE Name: 6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione
IUPAC Name: 6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione
SYSTEMATIC NAME: 6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione
MOLECULAR FORMULA: C11H11N3O2S
MOLECULAR WEIGHT: 249.28894
SMILES: CN(C)C1=CC=C(C=C1)C2=NC(=O)NC(=O)S2
Structure:

CAS RN: 80784-88-9
CAS Name: 6-(1,3-benzodioxol-5-yl)-1,3,5-thiadiazine-2,4-dione
OPENEYE Name: 6-(1,3-benzodioxol-5-yl)-1,3,5-thiadiazine-2,4-dione
IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1,3,5-thiadiazine-2,4-dione
SYSTEMATIC NAME: 6-(1,3-benzodioxol-5-yl)-1,3,5-thiadiazine-2,4-dione
MOLECULAR FORMULA: C10H6N2O4S
MOLECULAR WEIGHT: 250.23064
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC(=O)NC(=O)S3
Structure:

CAS RN: 80784-85-6
CAS Name: 6-(2-furanyl)-1,3,5-thiadiazine-2,4-dione
OPENEYE Name: 6-(2-furyl)-1,3,5-thiadiazine-2,4-dione
IUPAC Name: 6-(furan-2-yl)-1,3,5-thiadiazine-2,4-dione
SYSTEMATIC NAME: 6-(furan-2-yl)-1,3,5-thiadiazine-2,4-dione
MOLECULAR FORMULA: C7H4N2O3S
MOLECULAR WEIGHT: 196.18326
SMILES: C1=COC(=C1)C2=NC(=O)NC(=O)S2
Structure:

CAS RN: 19419-13-7
CAS Name: (1,2-dibromo-2-nitropropyl)benzene
OPENEYE Name: (1,2-dibromo-2-nitro-propyl)benzene
IUPAC Name: (1,2-dibromo-2-nitropropyl)benzene
SYSTEMATIC NAME: [1,2-bis(bromanyl)-2-nitro-propyl]benzene
MOLECULAR FORMULA: C9H9Br2NO2
MOLECULAR WEIGHT: 322.98126
SMILES: CC(C(C1=CC=CC=C1)Br)([N+](=O)[O-])Br
Structure:

CAS RN: 51932-80-0
CAS Name: (5-methyl-2-methylene-3,4,6-triphenyl-3H-azepin-1-yl)-phenylmethanone
OPENEYE Name: (5-methyl-2-methylene-3,4,6-triphenyl-3H-azepin-1-yl)-phenyl-methanone
IUPAC Name: (5-methyl-2-methylidene-3,4,6-triphenyl-3H-azepin-1-yl)-phenylmethanone
SYSTEMATIC NAME: (5-methyl-2-methylidene-3,4,6-triphenyl-3H-azepin-1-yl)-phenyl-methanone
MOLECULAR FORMULA: C33H27NO
MOLECULAR WEIGHT: 453.57358
SMILES: CC1=C(C(C(=C)N(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:

CAS RN: 33070-61-0
CAS Name: 2,3,4,5,6-pentakis-phenyl-3H-azepine
OPENEYE Name: 2,3,4,5,6-pentakis-phenyl-3H-azepine
IUPAC Name: 2,3,4,5,6-pentakis-phenyl-3H-azepine
SYSTEMATIC NAME: 2,3,4,5,6-pentakis-phenyl-3H-azepine
MOLECULAR FORMULA: C36H27N
MOLECULAR WEIGHT: 473.60628
SMILES: C1=CC=C(C=C1)C2C(=C(C(=CN=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:

CAS RN: 33070-67-6
CAS Name: 5-methyl-3,4,6-triphenyl-2-(2-phenylethenyl)-3H-azepine
OPENEYE Name: 5-methyl-3,4,6-triphenyl-2-styryl-3H-azepine
IUPAC Name: 5-methyl-3,4,6-triphenyl-2-(2-phenylethenyl)-3H-azepine
SYSTEMATIC NAME: 5-methyl-3,4,6-triphenyl-2-(2-phenylethenyl)-3H-azepine
MOLECULAR FORMULA: C33H27N
MOLECULAR WEIGHT: 437.57418
SMILES: CC1=C(C(C(=NC=C1C2=CC=CC=C2)C=CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:

CAS RN: 54778-25-5
CAS Name: 4-chloro-N-[2-[2-(N-methylanilino)-1,2-dioxoethyl]phenyl]benzamide
OPENEYE Name: 4-chloro-N-[2-[2-(N-methylanilino)-2-oxo-acetyl]phenyl]benzamide
IUPAC Name: 4-chloro-N-[2-[2-(N-methylanilino)-2-oxoacetyl]phenyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethanoyl]phenyl]benzamide
MOLECULAR FORMULA: C22H17ClN2O3
MOLECULAR WEIGHT: 392.83498
SMILES: CN(C1=CC=CC=C1)C(=O)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 63793-66-8
CAS Name: 2-(2-chloro-1-phenyl-3-indolyl)acetamide
OPENEYE Name: 2-(2-chloro-1-phenyl-indol-3-yl)acetamide
IUPAC Name: 2-(2-chloro-1-phenylindol-3-yl)acetamide
SYSTEMATIC NAME: 2-(2-chloranyl-1-phenyl-indol-3-yl)ethanamide
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)CC(=O)N
Structure:

CAS RN: 66335-24-8
CAS Name: 2-chloro-1-pentyl-3-indolecarboxylic acid
OPENEYE Name: 2-chloro-1-pentyl-indole-3-carboxylic acid
IUPAC Name: 2-chloro-1-pentylindole-3-carboxylic acid
SYSTEMATIC NAME: 2-chloranyl-1-pentyl-indole-3-carboxylic acid
MOLECULAR FORMULA: C14H16ClNO2
MOLECULAR WEIGHT: 265.73534
SMILES: CCCCCN1C2=CC=CC=C2C(=C1Cl)C(=O)O
Structure:

CAS RN: 66335-22-6
CAS Name: 1-butyl-2-chloro-3-indolecarboxylic acid
OPENEYE Name: 1-butyl-2-chloro-indole-3-carboxylic acid
IUPAC Name: 1-butyl-2-chloroindole-3-carboxylic acid
SYSTEMATIC NAME: 1-butyl-2-chloranyl-indole-3-carboxylic acid
MOLECULAR FORMULA: C13H14ClNO2
MOLECULAR WEIGHT: 251.70876
SMILES: CCCCN1C2=CC=CC=C2C(=C1Cl)C(=O)O
Structure:

CAS RN: 66335-19-1
CAS Name: 2-chloro-1-ethyl-3-indolecarboxylic acid
OPENEYE Name: 2-chloro-1-ethyl-indole-3-carboxylic acid
IUPAC Name: 2-chloro-1-ethylindole-3-carboxylic acid
SYSTEMATIC NAME: 2-chloranyl-1-ethyl-indole-3-carboxylic acid
MOLECULAR FORMULA: C11H10ClNO2
MOLECULAR WEIGHT: 223.6556
SMILES: CCN1C2=CC=CC=C2C(=C1Cl)C(=O)O
Structure:

CAS RN: 54778-17-5
CAS Name: 2-chloro-1-phenylindole-3,7-dicarboxaldehyde
OPENEYE Name: 2-chloro-1-phenyl-indole-3,7-dicarbaldehyde
IUPAC Name: 2-chloro-1-phenylindole-3,7-dicarbaldehyde
SYSTEMATIC NAME: 2-chloranyl-1-phenyl-indole-3,7-dicarbaldehyde
MOLECULAR FORMULA: C16H10ClNO2
MOLECULAR WEIGHT: 283.7091
SMILES: C1=CC=C(C=C1)N2C3=C(C=CC=C3C=O)C(=C2Cl)C=O
Structure:

CAS RN: 81226-97-3
CAS Name: 3-(2,6-dichlorophenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: 3-(2,6-dichlorophenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: 3-(2,6-dichlorophenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: 3-[2,6-bis(chloranyl)phenyl]-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H10Cl2O
MOLECULAR WEIGHT: 277.1453
SMILES: C1=CC=C(C=C1)C(=O)C=CC2=C(C=CC=C2Cl)Cl
Structure:

CAS RN: 23923-61-7
CAS Name: 1-(2-phenylcyclohexyl)ethanone
OPENEYE Name: 1-(2-phenylcyclohexyl)ethanone
IUPAC Name: 1-(2-phenylcyclohexyl)ethanone
SYSTEMATIC NAME: 1-(2-phenylcyclohexyl)ethanone
MOLECULAR FORMULA: C14H18O
MOLECULAR WEIGHT: 202.29212
SMILES: CC(=O)C1CCCCC1C2=CC=CC=C2
Structure:

CAS RN: 5208-44-6
CAS Name: [[6-methoxy-4-oxo-5-(1-oxononyl)-2-pyranyl]methylideneamino]urea
OPENEYE Name: [(6-methoxy-5-nonanoyl-4-oxo-pyran-2-yl)methyleneamino]urea
IUPAC Name: [(6-methoxy-5-nonanoyl-4-oxopyran-2-yl)methylideneamino]urea
SYSTEMATIC NAME: 1-[(6-methoxy-5-nonanoyl-4-oxidanylidene-pyran-2-yl)methylideneamino]urea
MOLECULAR FORMULA: C17H25N3O5
MOLECULAR WEIGHT: 351.3975
SMILES: CCCCCCCCC(=O)C1=C(OC(=CC1=O)C=NNC(=O)N)OC
Structure:

CAS RN: 19328-35-9
CAS Name: 3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
OPENEYE Name: 3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
IUPAC Name: 3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SYSTEMATIC NAME: 3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
MOLECULAR FORMULA: C19H27NO3
MOLECULAR WEIGHT: 317.42258
SMILES: CCCCC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
Structure:

CAS RN: 81715-45-9
CAS Name: 5-(chloromethyl)-2-phenyl-1,3-oxathiolane
OPENEYE Name: 5-(chloromethyl)-2-phenyl-1,3-oxathiolane
IUPAC Name: 5-(chloromethyl)-2-phenyl-1,3-oxathiolane
SYSTEMATIC NAME: 5-(chloromethyl)-2-phenyl-1,3-oxathiolane
MOLECULAR FORMULA: C10H11ClOS
MOLECULAR WEIGHT: 214.71174
SMILES: C1C(OC(S1)C2=CC=CC=C2)CCl
Structure:

CAS RN: 908-30-5
CAS Name: 3-[6-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]hexylamino]-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-[6-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]hexylamino]-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-[6-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]hexylamino]-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[6-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]hexylamino]-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C22H36N2O2
MOLECULAR WEIGHT: 360.53344
SMILES: CC1(CC(=CC(=O)C1)NCCCCCCNC2=CC(=O)CC(C2)(C)C)C
Structure:

CAS RN: 904-74-5
CAS Name: 3-[4-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]butylamino]-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-[4-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]butylamino]-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-[4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butylamino]-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[4-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]butylamino]-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C20H32N2O2
MOLECULAR WEIGHT: 332.48028
SMILES: CC1(CC(=CC(=O)C1)NCCCCNC2=CC(=O)CC(C2)(C)C)C
Structure:

CAS RN: 56242-69-4
CAS Name: N-(3,4-dichlorophenyl)-4,5-dihydrothiazol-2-amine
OPENEYE Name: N-(3,4-dichlorophenyl)-4,5-dihydrothiazol-2-amine
IUPAC Name: N-(3,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H8Cl2N2S
MOLECULAR WEIGHT: 247.14422
SMILES: C1CSC(=N1)NC2=CC(=C(C=C2)Cl)Cl
Structure:

CAS RN: 29263-30-7
CAS Name: N-(2,6-dichlorophenyl)-4,5-dihydrothiazol-2-amine
OPENEYE Name: N-(2,6-dichlorophenyl)-4,5-dihydrothiazol-2-amine
IUPAC Name: N-(2,6-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-[2,6-bis(chloranyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H8Cl2N2S
MOLECULAR WEIGHT: 247.14422
SMILES: C1CSC(=N1)NC2=C(C=CC=C2Cl)Cl
Structure:

CAS RN: 32409-95-3
CAS Name: 2-(3-chloro-1-oxopropyl)-1H-isoquinoline-1-carbonitrile
OPENEYE Name: 2-(3-chloropropanoyl)-1H-isoquinoline-1-carbonitrile
IUPAC Name: 2-(3-chloropropanoyl)-1H-isoquinoline-1-carbonitrile
SYSTEMATIC NAME: 2-(3-chloranylpropanoyl)-1H-isoquinoline-1-carbonitrile
MOLECULAR FORMULA: C13H11ClN2O
MOLECULAR WEIGHT: 246.69224
SMILES: C1=CC=C2C(N(C=CC2=C1)C(=O)CCCl)C#N
Structure:

CAS RN: 60246-78-8
CAS Name: 2-(3,4-dimethoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
MOLECULAR FORMULA: C23H21NO2S
MOLECULAR WEIGHT: 375.48334
SMILES: COC1=C(C=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4)OC
Structure:

CAS RN: 60246-77-7
CAS Name: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
OPENEYE Name: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
IUPAC Name: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
MOLECULAR FORMULA: C22H19NOS
MOLECULAR WEIGHT: 345.45736
SMILES: COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4
Structure:

CAS RN: 60246-84-6
CAS Name: 2-(2-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
OPENEYE Name: 2-(2-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
IUPAC Name: 2-(2-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
MOLECULAR FORMULA: C22H19NOS
MOLECULAR WEIGHT: 345.45736
SMILES: COC1=CC=CC=C1C2CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4
Structure:

CAS RN: 60246-86-8
CAS Name: 2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
OPENEYE Name: 2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
IUPAC Name: 2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SYSTEMATIC NAME: 2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
MOLECULAR FORMULA: C21H16N2O2S
MOLECULAR WEIGHT: 360.42894
SMILES: C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]
Structure:

CAS RN: 51216-58-1
CAS Name: 3-(3-pyridinylmethyl)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-(3-pyridylmethyl)-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C9H8N2OS2
MOLECULAR WEIGHT: 224.30262
SMILES: C1C(=O)N(C(=S)S1)CC2=CN=CC=C2
Structure:

CAS RN: 32979-36-5
CAS Name: 2,2-dichloro-2-(2,4,6-trichloro-3-methylphenyl)azoacetic acid methyl ester
OPENEYE Name: methyl 2,2-dichloro-2-(2,4,6-trichloro-3-methyl-phenyl)azo-acetate
IUPAC Name: methyl 2,2-dichloro-2-[(2,4,6-trichloro-3-methylphenyl)diazenyl]acetate
SYSTEMATIC NAME: methyl 2,2-bis(chloranyl)-2-[[2,4,6-tris(chloranyl)-3-methyl-phenyl]diazenyl]ethanoate
MOLECULAR FORMULA: C10H7Cl5N2O2
MOLECULAR WEIGHT: 364.43978
SMILES: CC1=C(C(=C(C=C1Cl)Cl)N=NC(C(=O)OC)(Cl)Cl)Cl
Structure:

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