CAS RN: 16152-12-8
CAS Name: 4,5-diphenyl-1,3,4-thiadiazol-4-ium-2-thiolate
OPENEYE Name: 4,5-diphenyl-1,3,4-thiadiazol-4-ium-2-thiolate
IUPAC Name: 4,5-diphenyl-1,3,4-thiadiazol-4-ium-2-thiolate
SYSTEMATIC NAME: 4,5-diphenyl-1,3,4-thiadiazol-4-ium-2-thiolate
MOLECULAR FORMULA: C14H10N2S2
MOLECULAR WEIGHT: 270.3726
SMILES: C1=CC=C(C=C1)C2=[N+](N=C(S2)[S-])C3=CC=CC=C3
Structure:
CAS RN: 59324-35-5
CAS Name: 17-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: 17-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: 17-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: 17-(2-azidoethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H29N3O2
MOLECULAR WEIGHT: 355.47386
SMILES: CC12CCC3C(C1CCC2(CCN=[N+]=[N-])O)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 28956-64-1
CAS Name: 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea
OPENEYE Name: 1-(1,3-benzothiazol-2-yl)-3-isopropyl-urea
IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)-3-propan-2-yl-urea
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: CC(C)NC(=O)NC1=NC2=CC=CC=C2S1
Structure:
CAS RN: 18933-62-5
CAS Name: benzoic acid [4-azido-2-(bromomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4-azido-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate
IUPAC Name: [4-azido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [4-azido-2-(bromomethyl)-6-methoxy-oxan-3-yl] benzoate
MOLECULAR FORMULA: C14H16BrN3O4
MOLECULAR WEIGHT: 370.19854
SMILES: COC1CC(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)N=[N+]=[N-]
Structure:
CAS RN: 89999-90-6
CAS Name: 2-chloro-6-hydroxybenzonitrile
OPENEYE Name: 2-chloro-6-hydroxy-benzonitrile
IUPAC Name: 2-chloro-6-hydroxybenzonitrile
SYSTEMATIC NAME: 2-chloranyl-6-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H4ClNO
MOLECULAR WEIGHT: 153.56576
SMILES: C1=CC(=C(C(=C1)Cl)C#N)O
Structure:
CAS RN: 89532-50-3
CAS Name: 2-cyano-3-methoxy-2-butenethioamide
OPENEYE Name: 2-cyano-3-methoxy-but-2-enethioamide
IUPAC Name: 2-cyano-3-methoxybut-2-enethioamide
SYSTEMATIC NAME: 2-cyano-3-methoxy-but-2-enethioamide
MOLECULAR FORMULA: C6H8N2OS
MOLECULAR WEIGHT: 156.20552
SMILES: CC(=C(C#N)C(=S)N)OC
Structure:
CAS RN: 32403-29-5
CAS Name: 1-(1-adamantyl)-3-[(5-chloro-2-nitrophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(5-chloro-2-nitro-phenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(5-chloro-2-nitrophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(5-chloranyl-2-nitro-phenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C18H21ClN4O2S
MOLECULAR WEIGHT: 392.90294
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C=CC(=C4)Cl)[N+](=O)[O-]
Structure:
CAS RN: 35966-96-2
CAS Name: 6-amino-9-cyclopentyl-1H-purine-2-thione
OPENEYE Name: 6-amino-9-cyclopentyl-1H-purine-2-thione
IUPAC Name: 6-amino-9-cyclopentyl-1H-purine-2-thione
SYSTEMATIC NAME: 6-azanyl-9-cyclopentyl-1H-purine-2-thione
MOLECULAR FORMULA: C10H13N5S
MOLECULAR WEIGHT: 235.30872
SMILES: C1CCC(C1)N2C=NC3=C(NC(=S)N=C32)N
Structure:
CAS RN: 2810-87-9
CAS Name: 6,7-dihydroxy-3a-(hydroxymethyl)-5,6,7,7a-tetrahydro-3H-pyrano[2,3-d]oxazole-2-thione
OPENEYE Name: 6,7-dihydroxy-3a-(hydroxymethyl)-5,6,7,7a-tetrahydro-3H-pyrano[2,3-d]oxazole-2-thione
IUPAC Name: 6,7-dihydroxy-3a-(hydroxymethyl)-5,6,7,7a-tetrahydro-3H-pyrano[2,3-d][1,3]oxazole-2-thione
SYSTEMATIC NAME: 3a-(hydroxymethyl)-6,7-bis(oxidanyl)-5,6,7,7a-tetrahydro-3H-pyrano[2,3-d][1,3]oxazole-2-thione
MOLECULAR FORMULA: C7H11NO5S
MOLECULAR WEIGHT: 221.23094
SMILES: C1C(C(C2C(O1)(NC(=S)O2)CO)O)O
Structure:
CAS RN: 6621-77-8
CAS Name: 1-[(5-tert-butyl-2-methoxyphenyl)methylideneamino]-3-octadecylthiourea
OPENEYE Name: 1-[(5-tert-butyl-2-methoxy-phenyl)methyleneamino]-3-octadecyl-thiourea
IUPAC Name: 1-[(5-tert-butyl-2-methoxyphenyl)methylideneamino]-3-octadecylthiourea
SYSTEMATIC NAME: 1-[(5-tert-butyl-2-methoxy-phenyl)methylideneamino]-3-octadecyl-thiourea
MOLECULAR FORMULA: C31H55N3OS
MOLECULAR WEIGHT: 517.8529
SMILES: CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=C(C=CC(=C1)C(C)(C)C)OC
Structure:
CAS RN: 51837-64-0
CAS Name: N-(4-acetamido-3-methoxyphenyl)acetamide
OPENEYE Name: N-(4-acetamido-3-methoxy-phenyl)acetamide
IUPAC Name: N-(4-acetamido-3-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(4-acetamido-3-methoxy-phenyl)ethanamide
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CC(=O)NC1=CC(=C(C=C1)NC(=O)C)OC
Structure:
CAS RN: 23404-74-2
CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate
IUPAC Name: diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanedioate
MOLECULAR FORMULA: C19H27N5O5S
MOLECULAR WEIGHT: 437.51318
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)CCCCSC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 29147-12-4
CAS Name: 4-(3-methoxyphenyl)azo-3-methyl-5-phenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(3-methoxyphenyl)azo-3-methyl-5-phenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(3-methoxyphenyl)diazenyl]-3-methyl-5-phenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(3-methoxyphenyl)diazenyl]-3-methyl-5-phenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C18H17N5OS
MOLECULAR WEIGHT: 351.42548
SMILES: CC1=NN(C(=C1N=NC2=CC(=CC=C2)OC)C3=CC=CC=C3)C(=S)N
Structure:
CAS RN: 13207-50-6
CAS Name: 1-anilino-3-methylthiourea
OPENEYE Name: 1-anilino-3-methyl-thiourea
IUPAC Name: 1-anilino-3-methylthiourea
SYSTEMATIC NAME: 1-methyl-3-phenylazanyl-thiourea
MOLECULAR FORMULA: C8H11N3S
MOLECULAR WEIGHT: 181.25804
SMILES: CNC(=S)NNC1=CC=CC=C1
Structure:
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