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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(4-phenylthiophen-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-[(4-phenyl-2-thienyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-[(4-phenyl-2-thiophenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(4-phenylthiophen-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-[(4-phenyl-2-thienyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C31H27N5O2S2 MolecularWeight: 565.70838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC(=CS4)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC(=CS4)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H27N5O2S2/c32-16-24-11-12-30-26(13-24)18-36(40(37,38)31-15-27(21-39-31)25-9-5-2-6-10-25)29(14-23-7-3-1-4-8-23)20-35(30)19-28-17-33-22-34-28/h1-13,15,17,21-22,29H,14,18-20H2,(H,33,34)