1-[3-(1H-imidazol-2-yl)propyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[3-(1H-imidazol-2-yl)propyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[3-(1H-imidazol-2-yl)propyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C27H27N5O2S2 MolecularWeight: 517.66558

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CCCC3=NC=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CCCC3=NC=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S2/c28-18-22-10-11-25-23(16-22)19-32(36(33,34)27-9-5-15-35-27)24(17-21-6-2-1-3-7-21)20-31(25)14-4-8-26-29-12-13-30-26/h1-3,5-7,9-13,15-16,24H,4,8,14,17,19-20H2,(H,29,30)