1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(4-propylthiophen-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(4-propylthiophen-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-[(4-propyl-2-thienyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-[(4-propyl-2-thiophenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(4-propylthiophen-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-[(4-propyl-2-thienyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C28H29N5O2S2 MolecularWeight: 531.69216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CSC(=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CCCC1=CSC(=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H29N5O2S2/c1-2-6-23-13-28(36-19-23)37(34,35)33-16-24-11-22(14-29)9-10-27(24)32(17-25-15-30-20-31-25)18-26(33)12-21-7-4-3-5-8-21/h3-5,7-11,13,15,19-20,26H,2,6,12,16-18H2,1H3,(H,30,31)