CAS RN: 64510-94-7
CAS Name: 4-[(4-ethoxyphenyl)iminomethyl]benzenecarbothioamide
OPENEYE Name: 4-[(4-ethoxyphenyl)iminomethyl]benzenecarbothioamide
IUPAC Name: 4-[(4-ethoxyphenyl)iminomethyl]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-ethoxyphenyl)iminomethyl]benzenecarbothioamide
MOLECULAR FORMULA: C16H16N2OS
MOLECULAR WEIGHT: 284.37604
SMILES: CCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 29868-21-1
CAS Name: 4-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
OPENEYE Name: 4-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
IUPAC Name: 4-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SYSTEMATIC NAME: 4-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
MOLECULAR FORMULA: C8H13N3O3
MOLECULAR WEIGHT: 199.20712
SMILES: CC1(OC2COC(C2O1)CN=[N+]=[N-])C
Structure:
CAS RN: 195-59-5
CAS Name: naphtho[1,2-e][1,3]benzoxazole
OPENEYE Name: naphtho[1,2-e][1,3]benzoxazole
IUPAC Name: naphtho[1,2-e][1,3]benzoxazole
SYSTEMATIC NAME: naphtho[1,2-e][1,3]benzoxazole
MOLECULAR FORMULA: C15H9NO
MOLECULAR WEIGHT: 219.23806
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)OC=N4
Structure:
CAS RN: 56510-28-2
CAS Name: 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-heptadecyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-heptadecyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C21H38N2OS
MOLECULAR WEIGHT: 366.60422
SMILES: CCCCCCCCCCCCCCCCCC1=CC(=O)NC(=S)N1
Structure:
CAS RN: 21585-17-1
CAS Name: 5-(2-hydroxyethyl)-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-(2-hydroxyethyl)-6-phenyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-(2-hydroxyethyl)-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-(2-hydroxyethyl)-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CCO
Structure:
CAS RN: 6939-79-3
CAS Name: 1-(3-methylanilino)-3-(3-methylphenyl)iminothiourea
OPENEYE Name: 1-(3-methylanilino)-3-(m-tolylimino)thiourea
IUPAC Name: 1-(3-methylanilino)-3-(3-methylphenyl)iminothiourea
SYSTEMATIC NAME: 1-[(3-methylphenyl)amino]-3-(3-methylphenyl)imino-thiourea
MOLECULAR FORMULA: C15H16N4S
MOLECULAR WEIGHT: 284.37934
SMILES: CC1=CC(=CC=C1)NNC(=S)N=NC2=CC=CC(=C2)C
Structure:
CAS RN: 22497-33-2
CAS Name: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(1H-indazol-6-yl)thiourea
OPENEYE Name: 1-[[4-(dimethylamino)phenyl]methyleneamino]-3-(1H-indazol-6-yl)thiourea
IUPAC Name: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(1H-indazol-6-yl)thiourea
SYSTEMATIC NAME: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(1H-indazol-6-yl)thiourea
MOLECULAR FORMULA: C17H18N6S
MOLECULAR WEIGHT: 338.43002
SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CC3=C(C=C2)C=NN3
Structure:
CAS RN: 15468-21-0
CAS Name: 6-amino-1-ethyl-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 6-amino-1-ethyl-2-thioxo-pyrimidin-4-one
IUPAC Name: 6-amino-1-ethyl-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-1-ethyl-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C6H9N3OS
MOLECULAR WEIGHT: 171.22016
SMILES: CCN1C(=CC(=O)NC1=S)N
Structure:
CAS RN: 2942-48-5
CAS Name: 3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
OPENEYE Name: 3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
IUPAC Name: 3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
SYSTEMATIC NAME: 3-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
MOLECULAR FORMULA: C6H6N4S
MOLECULAR WEIGHT: 166.20364
SMILES: CC1=C2C(=NC=NC2=S)NN1
Structure:
CAS RN: 29166-17-4
CAS Name: 1-diazonio-3-methyl-4-phenyl-2-buta-1,3-dienolate
OPENEYE Name: 1-diazonio-3-methyl-4-phenyl-buta-1,3-dien-2-olate
IUPAC Name: 1-diazonio-3-methyl-4-phenylbuta-1,3-dien-2-olate
SYSTEMATIC NAME: 1-diazonio-3-methyl-4-phenyl-buta-1,3-dien-2-olate
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CC(=CC1=CC=CC=C1)C(=C[N+]#N)[O-]
Structure:
CAS RN: 91692-22-7
CAS Name: 1,1-bis(2-chloroethyl)-3-heptylthiourea
OPENEYE Name: 1,1-bis(2-chloroethyl)-3-heptyl-thiourea
IUPAC Name: 1,1-bis(2-chloroethyl)-3-heptylthiourea
SYSTEMATIC NAME: 1,1-bis(2-chloroethyl)-3-heptyl-thiourea
MOLECULAR FORMULA: C12H24Cl2N2S
MOLECULAR WEIGHT: 299.30336
SMILES: CCCCCCCNC(=S)N(CCCl)CCCl
Structure:
CAS RN: 4902-38-9
CAS Name: carbamodithioic acid (2,4-dioxo-1H-pyrimidin-5-yl)methyl ester
OPENEYE Name: (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate
IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl carbamodithioate
MOLECULAR FORMULA: C6H7N3O2S2
MOLECULAR WEIGHT: 217.26868
SMILES: C1=C(C(=O)NC(=O)N1)CSC(=S)N
Structure:
CAS RN: 7249-53-8
CAS Name: 5-ethyl-5-propyl-6-sulfanylidene-1,3-diazinane-2,4-dione
OPENEYE Name: 5-ethyl-5-propyl-6-thioxo-hexahydropyrimidine-2,4-dione
IUPAC Name: 5-ethyl-5-propyl-6-sulfanylidene-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-ethyl-5-propyl-6-sulfanylidene-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C9H14N2O2S
MOLECULAR WEIGHT: 214.28466
SMILES: CCCC1(C(=O)NC(=O)NC1=S)CC
Structure:
CAS RN: 62888-16-8
CAS Name: 2-(4-amino-6-bromo-2-quinazolinyl)-4-bromobenzenediazonium
OPENEYE Name: 2-(4-amino-6-bromo-quinazolin-2-yl)-4-bromo-benzenediazonium
IUPAC Name: 2-(4-amino-6-bromoquinazolin-2-yl)-4-bromobenzenediazonium
SYSTEMATIC NAME: 2-(4-azanyl-6-bromanyl-quinazolin-2-yl)-4-bromanyl-benzenediazonium
MOLECULAR FORMULA: C14H8Br2N5+
MOLECULAR WEIGHT: 406.05482
SMILES: C1=CC2=C(C=C1Br)C(=NC(=N2)C3=C(C=CC(=C3)Br)[N+]#N)N
Structure:
CAS RN: 92460-79-2
CAS Name: (6-phenanthridinylmethylideneamino)thiourea
OPENEYE Name: (phenanthridin-6-ylmethyleneamino)thiourea
IUPAC Name: (phenanthridin-6-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(phenanthridin-6-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C15H12N4S
MOLECULAR WEIGHT: 280.34758
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2C=NNC(=S)N
Structure:
CAS RN: 20300-10-1
CAS Name: 1-naphthalenecarbothioamide
OPENEYE Name: naphthalene-1-carbothioamide
IUPAC Name: naphthalene-1-carbothioamide
SYSTEMATIC NAME: naphthalene-1-carbothioamide
MOLECULAR FORMULA: C11H9NS
MOLECULAR WEIGHT: 187.26086
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=S)N
Structure:
CAS RN: 7147-56-0
CAS Name: [[ethylamino(sulfanylidene)methyl]amino]urea
OPENEYE Name: (ethylcarbamothioylamino)urea
IUPAC Name: (ethylcarbamothioylamino)urea
SYSTEMATIC NAME: 1-(ethylcarbamothioylamino)urea
MOLECULAR FORMULA: C4H10N4OS
MOLECULAR WEIGHT: 162.2134
SMILES: CCNC(=S)NNC(=O)N
Structure:
CAS RN: 6340-75-6
CAS Name: 2-amino-5-ethyl-6-(2-methylanilino)-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-5-ethyl-6-(2-methylanilino)-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-5-ethyl-6-(2-methylanilino)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-5-ethyl-6-[(2-methylphenyl)amino]-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C13H16N4S
MOLECULAR WEIGHT: 260.35794
SMILES: CCC1=C(NC(=NC1=S)N)NC2=CC=CC=C2C
Structure:
CAS RN: 69243-64-7
CAS Name: N-(3,4-dimethylphenyl)carbamodithioic acid (3,4-dichlorophenyl)methyl ester
OPENEYE Name: (3,4-dichlorophenyl)methyl N-(3,4-dimethylphenyl)carbamodithioate
IUPAC Name: (3,4-dichlorophenyl)methyl N-(3,4-dimethylphenyl)carbamodithioate
SYSTEMATIC NAME: (3,4-dichlorophenyl)methyl N-(3,4-dimethylphenyl)carbamodithioate
MOLECULAR FORMULA: C16H15Cl2NS2
MOLECULAR WEIGHT: 356.333
SMILES: CC1=C(C=C(C=C1)NC(=S)SCC2=CC(=C(C=C2)Cl)Cl)C
Structure:
CAS RN: 22704-29-6
CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-3-propylthiourea
OPENEYE Name: 1-[4-(1-piperidylsulfonyl)phenyl]-3-propyl-thiourea
IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-propylthiourea
SYSTEMATIC NAME: 1-(4-piperidin-1-ylsulfonylphenyl)-3-propyl-thiourea
MOLECULAR FORMULA: C15H23N3O2S2
MOLECULAR WEIGHT: 341.49202
SMILES: CCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2
Structure:
CAS RN: 7506-89-0
CAS Name: 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl 3-methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C8H10N2O3S
MOLECULAR WEIGHT: 214.2416
SMILES: CCOC(=O)C1=CNC(=S)N(C1=O)C
Structure:
CAS RN: 52854-12-3
CAS Name: N-(7H-purin-6-yl)octanamide
OPENEYE Name: N-(7H-purin-6-yl)octanamide
IUPAC Name: N-(7H-purin-6-yl)octanamide
SYSTEMATIC NAME: N-(7H-purin-6-yl)octanamide
MOLECULAR FORMULA: C13H19N5O
MOLECULAR WEIGHT: 261.32286
SMILES: CCCCCCCC(=O)NC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 6951-61-7
CAS Name: N-[(octadecylamino)-sulfanylidenemethyl]octadecanamide
OPENEYE Name: N-(octadecylcarbamothioyl)octadecanamide
IUPAC Name: N-(octadecylcarbamothioyl)octadecanamide
SYSTEMATIC NAME: N-(octadecylcarbamothioyl)octadecanamide
MOLECULAR FORMULA: C37H74N2OS
MOLECULAR WEIGHT: 595.06126
SMILES: CCCCCCCCCCCCCCCCCCNC(=S)NC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 72766-18-8
CAS Name: 2-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]ethanol
OPENEYE Name: 2-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]ethanol
IUPAC Name: 2-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]ethanol
SYSTEMATIC NAME: 2-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]ethanol
MOLECULAR FORMULA: C10H11N5O5
MOLECULAR WEIGHT: 281.22484
SMILES: CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCO)[N+](=O)[O-]
Structure:
CAS RN: 69310-91-4
CAS Name: 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxo-7-phenyl-2-thioxo-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate
IUPAC Name: ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C16H16N2O4S
MOLECULAR WEIGHT: 332.37424
SMILES: CCOC(=O)C1CC2=C(NC(=S)NC2=O)OC1C3=CC=CC=C3
Structure:
CAS RN: 1450-86-8
CAS Name: 1H-pyrimidine-6-thione
OPENEYE Name: 1H-pyrimidine-6-thione
IUPAC Name: 1H-pyrimidine-6-thione
SYSTEMATIC NAME: 1H-pyrimidine-6-thione
MOLECULAR FORMULA: C4H4N2S
MOLECULAR WEIGHT: 112.15296
SMILES: C1=CN=CNC1=S
Structure:
CAS RN: 7403-13-6
CAS Name: N-(4-hydroxy-2,6-dinitrophenyl)acetamide
OPENEYE Name: N-(4-hydroxy-2,6-dinitro-phenyl)acetamide
IUPAC Name: N-(4-hydroxy-2,6-dinitrophenyl)acetamide
SYSTEMATIC NAME: N-(2,6-dinitro-4-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C8H7N3O6
MOLECULAR WEIGHT: 241.15768
SMILES: CC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
Structure:
CAS RN: 88387-73-9
CAS Name: 2-amino-7-nitro-9-fluorenone
OPENEYE Name: 2-amino-7-nitro-fluoren-9-one
IUPAC Name: 2-amino-7-nitrofluoren-9-one
SYSTEMATIC NAME: 2-azanyl-7-nitro-fluoren-9-one
MOLECULAR FORMULA: C13H8N2O3
MOLECULAR WEIGHT: 240.21422
SMILES: C1=CC2=C(C=C1N)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]
Structure:
CAS RN: 10001-52-2
CAS Name: 5-ethyl-5-(7H-purin-6-ylthio)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-ethyl-5-(7H-purin-6-ylsulfanyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(7H-purin-6-ylsulfanyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C11H10N6O3S
MOLECULAR WEIGHT: 306.3005
SMILES: CCC1(C(=O)NC(=O)NC1=O)SC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 6635-77-4
CAS Name: N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioic acid methyl ester
OPENEYE Name: methyl N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioate
IUPAC Name: methyl N-(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioate
SYSTEMATIC NAME: methyl N-(6-methoxy-7-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)carbamodithioate
MOLECULAR FORMULA: C16H21NO5S2
MOLECULAR WEIGHT: 371.47164
SMILES: COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)NC(=S)SC)O
Structure:
CAS RN: 1236-22-2
CAS Name: 2-(12-benzo[a]anthracenyl)thiophene
OPENEYE Name: 2-benzo[a]anthracen-12-ylthiophene
IUPAC Name: 2-benzo[a]anthracen-12-ylthiophene
SYSTEMATIC NAME: 2-benzo[a]anthracen-12-ylthiophene
MOLECULAR FORMULA: C22H14S
MOLECULAR WEIGHT: 310.41156
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C(=C32)C5=CC=CS5
Structure:
CAS RN: 42134-89-4
CAS Name: [(2,7-dichloro-9-fluorenylidene)amino]thiourea
OPENEYE Name: [(2,7-dichlorofluoren-9-ylidene)amino]thiourea
IUPAC Name: [(2,7-dichlorofluoren-9-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[[2,7-bis(chloranyl)fluoren-9-ylidene]amino]thiourea
MOLECULAR FORMULA: C14H9Cl2N3S
MOLECULAR WEIGHT: 322.21236
SMILES: C1=CC2=C(C=C1Cl)C(=NNC(=S)N)C3=C2C=CC(=C3)Cl
Structure:
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