CAS RN: 10468-42-5
CAS Name: 3-(4-chlorophenyl)dithiol-1-ium
OPENEYE Name: 3-(4-chlorophenyl)dithiol-1-ium
IUPAC Name: 3-(4-chlorophenyl)dithiol-1-ium
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,2-dithiol-1-ium
MOLECULAR FORMULA: C9H6ClS2+
MOLECULAR WEIGHT: 213.72694
SMILES: C1=CC(=CC=C1C2=CC=[S+]S2)Cl
Structure:
CAS RN: 19412-56-7
CAS Name: 2-mercapto-N'-(phenylmethyl)ethanimidamide
OPENEYE Name: N'-benzyl-2-sulfanyl-acetamidine
IUPAC Name: N'-benzyl-2-sulfanylethanimidamide
SYSTEMATIC NAME: N'-(phenylmethyl)-2-sulfanyl-ethanimidamide
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: C1=CC=C(C=C1)CN=C(CS)N
Structure:
CAS RN: 19412-55-6
CAS Name: N'-cyclohexyl-2-mercaptoethanimidamide
OPENEYE Name: N'-cyclohexyl-2-sulfanyl-acetamidine
IUPAC Name: N'-cyclohexyl-2-sulfanylethanimidamide
SYSTEMATIC NAME: N'-cyclohexyl-2-sulfanyl-ethanimidamide
MOLECULAR FORMULA: C8H16N2S
MOLECULAR WEIGHT: 172.29104
SMILES: C1CCC(CC1)N=C(CS)N
Structure:
CAS RN: 19412-60-3
CAS Name: N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-mercaptoethanimidamide
OPENEYE Name: N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanyl-acetamidine
IUPAC Name: N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide
SYSTEMATIC NAME: N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanyl-ethanimidamide
MOLECULAR FORMULA: C11H14N4S
MOLECULAR WEIGHT: 234.32066
SMILES: C1=CC=C2C(=C1)NC(=N2)CCN=C(CS)N
Structure:
CAS RN: 73706-73-7
CAS Name: 4,5-dihydro-1H-imidazol-2-ylmethanamine
OPENEYE Name: 4,5-dihydro-1H-imidazol-2-ylmethanamine
IUPAC Name: 4,5-dihydro-1H-imidazol-2-ylmethanamine
SYSTEMATIC NAME: 4,5-dihydro-1H-imidazol-2-ylmethanamine
MOLECULAR FORMULA: C4H9N3
MOLECULAR WEIGHT: 99.13436
SMILES: C1CN=C(N1)CN
Structure:
CAS RN: 56741-98-1
CAS Name: N-(5-bromo-4-oxo-6-phenyl-1H-pyrimidin-2-yl)nitramide
OPENEYE Name: N-(5-bromo-4-oxo-6-phenyl-1H-pyrimidin-2-yl)nitramide
IUPAC Name: N-(5-bromo-4-oxo-6-phenyl-1H-pyrimidin-2-yl)nitramide
SYSTEMATIC NAME: N-(5-bromanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)nitramide
MOLECULAR FORMULA: C10H7BrN4O3
MOLECULAR WEIGHT: 311.09158
SMILES: C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N[N+](=O)[O-])Br
Structure:
CAS RN: 52745-18-3
CAS Name: 2-[2-(1-piperidinylazo)phenyl]-1H-quinazolin-4-one
OPENEYE Name: 2-[2-(1-piperidylazo)phenyl]-1H-quinazolin-4-one
IUPAC Name: 2-[2-(piperidin-1-yldiazenyl)phenyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[2-(piperidin-1-yldiazenyl)phenyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C19H19N5O
MOLECULAR WEIGHT: 333.38706
SMILES: C1CCN(CC1)N=NC2=CC=CC=C2C3=NC(=O)C4=CC=CC=C4N3
Structure:
CAS RN: 75425-86-4
CAS Name: bis(diphenylphosphino)methyl-diphenyl-sulfanylidenephosphorane
OPENEYE Name: bis(diphenylphosphanyl)methyl-diphenyl-thioxo-$l^{5}-phosphane
IUPAC Name: bis(diphenylphosphanyl)methyl-diphenyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(diphenylphosphanyl)methyl-diphenyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C37H31P3S
MOLECULAR WEIGHT: 600.628323
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C(P(C3=CC=CC=C3)C4=CC=CC=C4)P(=S)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 43133-31-9
CAS Name: N,N,N',N'-tetrakis(diphenylphosphinomethyl)ethane-1,2-diamine
OPENEYE Name: N,N,N',N'-tetrakis(diphenylphosphanylmethyl)ethane-1,2-diamine
IUPAC Name: N,N,N',N'-tetrakis(diphenylphosphanylmethyl)ethane-1,2-diamine
SYSTEMATIC NAME: N,N,N',N'-tetrakis(diphenylphosphanylmethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C54H52N2P4
MOLECULAR WEIGHT: 852.899124
SMILES: C1=CC=C(C=C1)P(CN(CCN(CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)CP(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 14633-92-2
CAS Name: diphenylphosphinothioylmethyl-diphenyl-sulfanylidenephosphorane
OPENEYE Name: diphenylphosphinothioylmethyl-diphenyl-thioxo-$l^{5}-phosphane
IUPAC Name: diphenylphosphinothioylmethyl-diphenyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diphenylphosphinothioylmethyl-diphenyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C25H22P2S2
MOLECULAR WEIGHT: 448.519702
SMILES: C1=CC=C(C=C1)P(=S)(CP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 34261-08-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10ClNO
MOLECULAR WEIGHT: 219.6669
SMILES: CN1C2C3=CC=CC=C3C(C1=O)C=C2Cl
Structure:
CAS RN: 88526-36-7
CAS Name: carbamimidothioic acid (1-amino-1-iminopropan-2-yl) ester
OPENEYE Name: 2-(2-amino-2-imino-1-methyl-ethyl)isothiourea
IUPAC Name: (1-amino-1-iminopropan-2-yl) carbamimidothioate
SYSTEMATIC NAME: (1-azanyl-1-azanylidene-propan-2-yl) carbamimidothioate
MOLECULAR FORMULA: C4H10N4S
MOLECULAR WEIGHT: 146.214
SMILES: CC(C(=N)N)SC(=N)N
Structure:
CAS RN: 69094-47-9
CAS Name: N'-(2-adamantylmethyl)-2-mercaptoethanimidamide
OPENEYE Name: N'-(2-adamantylmethyl)-2-sulfanyl-acetamidine
IUPAC Name: N'-(2-adamantylmethyl)-2-sulfanylethanimidamide
SYSTEMATIC NAME: N'-(2-adamantylmethyl)-2-sulfanyl-ethanimidamide
MOLECULAR FORMULA: C13H22N2S
MOLECULAR WEIGHT: 238.39218
SMILES: C1C2CC3CC1CC(C2)C3CN=C(CS)N
Structure:
CAS RN: 30771-94-9
CAS Name: carbamimidothioic acid 1-adamantyl ester
OPENEYE Name: 2-(1-adamantyl)isothiourea
IUPAC Name: 1-adamantyl carbamimidothioate
SYSTEMATIC NAME: 1-adamantyl carbamimidothioate
MOLECULAR FORMULA: C11H18N2S
MOLECULAR WEIGHT: 210.33902
SMILES: C1C2CC3CC1CC(C2)(C3)SC(=N)N
Structure:
CAS RN: 50450-97-0
CAS Name: 5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylic acid
OPENEYE Name: 5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylic acid
IUPAC Name: 5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylic acid
SYSTEMATIC NAME: 5,7-bis(oxidanyl)-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylic acid
MOLECULAR FORMULA: C7H7N3O4
MOLECULAR WEIGHT: 197.14818
SMILES: C1=C(NC2=C(NN(C=C21)O)O)C(=O)O
Structure:
CAS RN: 3588-76-9
CAS Name: octadecanoic acid [6-[[3,4-bis(1-oxooctadecoxy)-2,5-bis(1-oxooctadecoxymethyl)-2-oxolanyl]oxy]-3,4,5-tris(1-oxooctadecoxy)-2-oxanyl]methyl ester
OPENEYE Name: [6-[3,4-di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-tri(octadecanoyloxy)tetrahydropyran-2-yl]methyl octadecanoate
IUPAC Name: [6-[3,4-di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(octadecanoyloxy)oxan-2-yl]methyl octadecanoate
SYSTEMATIC NAME: [6-[3,4-di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(octadecanoyloxy)oxan-2-yl]methyl octadecanoate
MOLECULAR FORMULA: C156H294O19
MOLECULAR WEIGHT: 2473.99216
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 34816-22-3
CAS Name: octadecanoic acid [6-[[3,4-bis(1-oxooctadecoxy)-2,5-bis(1-oxooctadecoxymethyl)-2-oxolanyl]oxy]-3,4,5-tris(1-oxooctadecoxy)-2-oxanyl]methyl ester
OPENEYE Name: [6-[3,4-di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-tri(octadecanoyloxy)tetrahydropyran-2-yl]methyl octadecanoate
IUPAC Name: [6-[3,4-di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(octadecanoyloxy)oxan-2-yl]methyl octadecanoate
SYSTEMATIC NAME: [6-[3,4-di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(octadecanoyloxy)oxan-2-yl]methyl octadecanoate
MOLECULAR FORMULA: C156H294O19
MOLECULAR WEIGHT: 2473.99216
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 62163-98-8
CAS Name: 1-butyl-3-(butylthio)pyrrolidine-2,5-dione
OPENEYE Name: 1-butyl-3-butylsulfanyl-pyrrolidine-2,5-dione
IUPAC Name: 1-butyl-3-butylsulfanylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-butyl-3-butylsulfanyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H21NO2S
MOLECULAR WEIGHT: 243.36564
SMILES: CCCCN1C(=O)CC(C1=O)SCCCC
Structure:
CAS RN: 4771-84-0
CAS Name: 2-[[methoxy(phenyl)phosphoryl]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[methoxy(phenyl)phosphoryl]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[methoxy(phenyl)phosphoryl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[methoxy(phenyl)phosphoryl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C16H14NO4P
MOLECULAR WEIGHT: 315.260421
SMILES: COP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3
Structure:
CAS RN: 15810-22-7
CAS Name: 2-[[(carboxymethylthio)-diphenylmethyl]thio]acetic acid
OPENEYE Name: 2-[carboxymethylsulfanyl(diphenyl)methyl]sulfanylacetic acid
IUPAC Name: 2-[carboxymethylsulfanyl(diphenyl)methyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-hydroxy-2-oxoethylsulfanyl(diphenyl)methyl]sulfanylethanoic acid
MOLECULAR FORMULA: C17H16O4S2
MOLECULAR WEIGHT: 348.43654
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(SCC(=O)O)SCC(=O)O
Structure:
CAS RN: 35850-94-3
CAS Name: 1-hydroxypropane-1,3-disulfonic acid
OPENEYE Name: 1-hydroxypropane-1,3-disulfonic acid
IUPAC Name: 1-hydroxypropane-1,3-disulfonic acid
SYSTEMATIC NAME: 1-oxidanylpropane-1,3-disulfonic acid
MOLECULAR FORMULA: C3H8O7S2
MOLECULAR WEIGHT: 220.22142
SMILES: C(CS(=O)(=O)O)C(O)S(=O)(=O)O
Structure:
CAS RN: 13114-83-5
CAS Name: 1-phenyl-3-(2-phenylphenyl)urea
OPENEYE Name: 1-phenyl-3-(2-phenylphenyl)urea
IUPAC Name: 1-phenyl-3-(2-phenylphenyl)urea
SYSTEMATIC NAME: 1-phenyl-3-(2-phenylphenyl)urea
MOLECULAR FORMULA: C19H16N2O
MOLECULAR WEIGHT: 288.34314
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)NC3=CC=CC=C3
Structure:
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