CAS RN: 906631-90-1
CAS Name: N-(4-methylphenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide
OPENEYE Name: N-(p-tolyl)-3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propanamide
IUPAC Name: N-(4-methylphenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide
SYSTEMATIC NAME: N-(4-methylphenyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide
MOLECULAR FORMULA: C12H14N4OS
MOLECULAR WEIGHT: 262.33076
SMILES: CC1=CC=C(C=C1)NC(=O)CCC2=NC(=S)NN2
Structure:
CAS RN: 52092-38-3
CAS Name: piperazine-2,5-dithione
OPENEYE Name: piperazine-2,5-dithione
IUPAC Name: piperazine-2,5-dithione
SYSTEMATIC NAME: piperazine-2,5-dithione
MOLECULAR FORMULA: C4H6N2S2
MOLECULAR WEIGHT: 146.23384
SMILES: C1C(=S)NCC(=S)N1
Structure:
CAS RN: 29096-99-9
CAS Name: (E)-2-cyano-3-ethoxy-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-2-cyano-3-ethoxy-prop-2-enoate
IUPAC Name: methyl (E)-2-cyano-3-ethoxyprop-2-enoate
SYSTEMATIC NAME: methyl (E)-2-cyano-3-ethoxy-prop-2-enoate
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: CCO/C=C(\C#N)/C(=O)OC
Structure:
CAS RN: 7470-98-6
CAS Name: (2E)-2-(propan-2-yloxymethylidene)-3,4-dihydronaphthalen-1-one
OPENEYE Name: (2E)-2-(isopropoxymethylene)tetralin-1-one
IUPAC Name: (2E)-2-(propan-2-yloxymethylidene)-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: (2E)-2-(propan-2-yloxymethylidene)-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC(C)O/C=C/1\CCC2=CC=CC=C2C1=O
Structure:
CAS RN: 73236-29-0
CAS Name: 4-amino-6-sulfanylidene-1H-pyrazolo[3,4-d][1,3]thiazine-3-carbonitrile
OPENEYE Name: 4-amino-6-thioxo-1H-pyrazolo[3,4-d][1,3]thiazine-3-carbonitrile
IUPAC Name: 4-amino-6-sulfanylidene-1H-pyrazolo[3,4-d][1,3]thiazine-3-carbonitrile
SYSTEMATIC NAME: 4-azanyl-6-sulfanylidene-1H-pyrazolo[3,4-d][1,3]thiazine-3-carbonitrile
MOLECULAR FORMULA: C6H3N5S2
MOLECULAR WEIGHT: 209.25152
SMILES: C(#N)C1=NNC2=NC(=S)SC(=C12)N
Structure:
CAS RN: 81863-77-6
CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[(4-chlorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C16H14ClN3OS2
MOLECULAR WEIGHT: 363.88486
SMILES: COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=CC=C(C=C3)Cl
Structure:
CAS RN: 82972-82-5
CAS Name: 3-amino-2-(4-methylphenyl)-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
OPENEYE Name: 3-amino-2-(p-tolyl)-1-thioxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
IUPAC Name: 3-amino-2-(4-methylphenyl)-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SYSTEMATIC NAME: 3-azanyl-2-(4-methylphenyl)-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
MOLECULAR FORMULA: C16H15N3S
MOLECULAR WEIGHT: 281.3754
SMILES: CC1=CC=C(C=C1)N2C(=C(C3=C(C2=S)CCC3)C#N)N
Structure:
CAS RN: 73768-84-0
CAS Name: 2-[(2-sulfanylidene-1H-pyridin-3-yl)amino]-1H-pyrimidin-6-one
OPENEYE Name: 2-[(2-thioxo-1H-pyridin-3-yl)amino]-1H-pyrimidin-6-one
IUPAC Name: 2-[(2-sulfanylidene-1H-pyridin-3-yl)amino]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-[(2-sulfanylidene-1H-pyridin-3-yl)amino]-1H-pyrimidin-6-one
MOLECULAR FORMULA: C9H8N4OS
MOLECULAR WEIGHT: 220.25102
SMILES: C1=CNC(=S)C(=C1)NC2=NC=CC(=O)N2
Structure:
CAS RN: 79998-03-1
CAS Name: 4-ethyl-2-methyl-3-(2-pyrazinyl)-1H-1,2,4-triazol-4-ium-5-thione
OPENEYE Name: 4-ethyl-2-methyl-3-pyrazin-2-yl-1H-1,2,4-triazol-4-ium-5-thione
IUPAC Name: 4-ethyl-2-methyl-3-pyrazin-2-yl-1H-1,2,4-triazol-4-ium-5-thione
SYSTEMATIC NAME: 4-ethyl-2-methyl-3-pyrazin-2-yl-1H-1,2,4-triazol-4-ium-5-thione
MOLECULAR FORMULA: C9H12N5S+
MOLECULAR WEIGHT: 222.29008
SMILES: CC[N+]1=C(N(NC1=S)C)C2=NC=CN=C2
Structure:
CAS RN: 13401-64-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12O5
MOLECULAR WEIGHT: 308.28488
SMILES: C1[C@H]2[C@@H](C3=C(O1)C=C4C(=C3)C=CO4)OC5=CC6=C(C=C25)OCO6
Structure:
CAS RN: 87587-20-0
CAS Name: N'-[1-(1-oxido-2-pyridin-1-iumyl)ethyl]-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide
OPENEYE Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide
IUPAC Name: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carbothiohydrazide
SYSTEMATIC NAME: N'-[1-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-4-pyridin-2-yl-piperazine-1-carbothiohydrazide
MOLECULAR FORMULA: C17H22N6OS
MOLECULAR WEIGHT: 358.46118
SMILES: CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCN(CC2)C3=CC=CC=N3
Structure:
CAS RN: 81237-60-7
CAS Name: 1,2-dihydropyrazolo[4,3-g]quinazoline-5-thione
OPENEYE Name: 1,2-dihydropyrazolo[4,3-g]quinazoline-5-thione
IUPAC Name: 1,2-dihydropyrazolo[4,3-g]quinazoline-5-thione
SYSTEMATIC NAME: 1,2-dihydropyrazolo[4,3-g]quinazoline-5-thione
MOLECULAR FORMULA: C9H6N4S
MOLECULAR WEIGHT: 202.23574
SMILES: C1=C2C(=NC=NC2=S)C=C3C1=CNN3
Structure:
CAS RN: 77493-10-8
CAS Name: 5-methyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-2-one
OPENEYE Name: 5-methyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidin-2-one
IUPAC Name: 5-methyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-2-one
SYSTEMATIC NAME: 5-methyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-2-one
MOLECULAR FORMULA: C7H7N3OS
MOLECULAR WEIGHT: 181.21498
SMILES: CN1C=CC2=C1C(=S)NC(=O)N2
Structure:
CAS RN: 68465-16-7
CAS Name: 4-amino-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H-pyrido[4,3-d]pyrimidin-5-one
OPENEYE Name: 4-amino-7-(4-bromophenyl)-6-methyl-2-thioxo-1H-pyrido[4,3-d]pyrimidin-5-one
IUPAC Name: 4-amino-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H-pyrido[4,3-d]pyrimidin-5-one
SYSTEMATIC NAME: 4-azanyl-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H-pyrido[4,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C14H11BrN4OS
MOLECULAR WEIGHT: 363.23234
SMILES: CN1C(=CC2=C(C1=O)C(=NC(=S)N2)N)C3=CC=C(C=C3)Br
Structure:
CAS RN: 67405-28-1
CAS Name: (4E)-1,3-dimethyl-4-(nitromethylidene)-2-pyrimidinone
OPENEYE Name: (4E)-1,3-dimethyl-4-(nitromethylene)pyrimidin-2-one
IUPAC Name: (4E)-1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one
SYSTEMATIC NAME: (4E)-1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one
MOLECULAR FORMULA: C7H9N3O3
MOLECULAR WEIGHT: 183.16466
SMILES: CN1C=C/C(=C\[N+](=O)[O-])/N(C1=O)C
Structure:
CAS RN: 68813-32-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23N3O2
MOLECULAR WEIGHT: 337.41552
SMILES: C[C@H]1C2(C(=C(C13[C@@]2(N4C(=O)N(C(=O)N4C3)C5=CC=CC=C5)C)C)C)C
Structure:
CAS RN: 68640-86-8
CAS Name: 2-methyl-4,6-bis(sulfanylidene)-1,7-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
OPENEYE Name: 2-methyl-4,6-dithioxo-1,7-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
IUPAC Name: 2-methyl-4,6-bis(sulfanylidene)-1,7-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
SYSTEMATIC NAME: 2-methyl-4,6-bis(sulfanylidene)-1,7-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
MOLECULAR FORMULA: C6H5N3OS3
MOLECULAR WEIGHT: 231.3184
SMILES: CN1C(=O)C2=C(N1)NC(=S)SC2=S
Structure:
CAS RN: 86919-63-3
CAS Name: N-[1-(2-pyridinyl)butylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
OPENEYE Name: N-[1-(2-pyridyl)butylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
IUPAC Name: N-(1-pyridin-2-ylbutylideneamino)-3-azabicyclo[3.2.2]nonane-3-carbothioamide
SYSTEMATIC NAME: N-(1-pyridin-2-ylbutylideneamino)-3-azabicyclo[3.2.2]nonane-3-carbothioamide
MOLECULAR FORMULA: C18H26N4S
MOLECULAR WEIGHT: 330.49084
SMILES: CCCC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3
Structure:
CAS RN: 86919-58-6
CAS Name: N-[1-(6-methyl-2-pyridinyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
OPENEYE Name: N-[1-(6-methyl-2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
IUPAC Name: N-[1-(6-methylpyridin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
SYSTEMATIC NAME: N-[1-(6-methylpyridin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
MOLECULAR FORMULA: C17H24N4S
MOLECULAR WEIGHT: 316.46426
SMILES: CC1=CC=CC(=N1)C(=NNC(=S)N2CC3CCC(C2)CC3)C
Structure:
CAS RN: 69540-73-4
CAS Name: 4-(1-pyrrolidinyl)-1,3-dihydro-1,5-benzodiazepine-2-thione
OPENEYE Name: 4-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepine-2-thione
IUPAC Name: 4-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepine-2-thione
SYSTEMATIC NAME: 4-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepine-2-thione
MOLECULAR FORMULA: C13H15N3S
MOLECULAR WEIGHT: 245.3433
SMILES: C1CCN(C1)C2=NC3=CC=CC=C3NC(=S)C2
Structure:
CAS RN: 91918-89-7
CAS Name: 6-methyl-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
OPENEYE Name: 6-methyl-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
IUPAC Name: 6-methyl-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
SYSTEMATIC NAME: 6-methyl-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
MOLECULAR FORMULA: C11H9NO2S
MOLECULAR WEIGHT: 219.25966
SMILES: CC1=CC(=S)C2=CC3=C(C=C2N1)OCO3
Structure:
CAS RN: 67773-70-0
CAS Name: (2Z,6Z,9Z,13Z)-6,13-dimethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
OPENEYE Name: (2Z,6Z,9Z,13Z)-6,13-dimethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
IUPAC Name: (2Z,6Z,9Z,13Z)-6,13-dimethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
SYSTEMATIC NAME: (2Z,6Z,9Z,13Z)-6,13-dimethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene-2,3,9,10-tetracarbonitrile
MOLECULAR FORMULA: C16H12N8
MOLECULAR WEIGHT: 316.32008
SMILES: C/C/1=C/N/C(=C(\N=C/C(=C\N/C(=C(\N=C1)/C#N)/C#N)/C)/C#N)/C#N
Structure:
CAS RN: 71555-25-4
CAS Name: N-[1-(2-pyridinyl)ethylideneamino]-1-azetidinecarbothioamide
OPENEYE Name: N-[1-(2-pyridyl)ethylideneamino]azetidine-1-carbothioamide
IUPAC Name: N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
SYSTEMATIC NAME: N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
MOLECULAR FORMULA: C11H14N4S
MOLECULAR WEIGHT: 234.32066
SMILES: CC(=NNC(=S)N1CCC1)C2=CC=CC=N2
Structure:
CAS RN: 74590-75-3
CAS Name: (2Z)-2-(trimethylsilyloxymethylidene)-1-cyclohexanone
OPENEYE Name: (2Z)-2-(trimethylsilyloxymethylene)cyclohexanone
IUPAC Name: (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one
SYSTEMATIC NAME: (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one
MOLECULAR FORMULA: C10H18O2Si
MOLECULAR WEIGHT: 198.33422
SMILES: C[Si](C)(C)O/C=C\1/CCCCC1=O
Structure:
CAS RN: 41054-49-3
CAS Name: 4-[4-(phenylthio)phenyl]-1,3-dihydro-1,5-benzodiazepine-2-thione
OPENEYE Name: 4-(4-phenylsulfanylphenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione
IUPAC Name: 4-(4-phenylsulfanylphenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione
SYSTEMATIC NAME: 4-(4-phenylsulfanylphenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione
MOLECULAR FORMULA: C21H16N2S2
MOLECULAR WEIGHT: 360.49514
SMILES: C1C(=NC2=CC=CC=C2NC1=S)C3=CC=C(C=C3)SC4=CC=CC=C4
Structure:
CAS RN: 77037-31-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16N6
MOLECULAR WEIGHT: 340.38124
SMILES: C1CNC2=CC=CC=C2C=N/C(=C(\N=CC3=CC=CC=C3N1)/C#N)/C#N
Structure:
CAS RN: 38509-81-8
CAS Name: N-phenylcarbamodithioic acid [(4-methylphenyl)thio] ester
OPENEYE Name: p-tolylsulfanyl N-phenylcarbamodithioate
IUPAC Name: (4-methylphenyl)sulfanyl N-phenylcarbamodithioate
SYSTEMATIC NAME: (4-methylphenyl)sulfanyl N-phenylcarbamodithioate
MOLECULAR FORMULA: C14H13NS3
MOLECULAR WEIGHT: 291.45472
SMILES: CC1=CC=C(C=C1)SSC(=S)NC2=CC=CC=C2
Structure:
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