1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1,4-benzodiazepine-5-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1,4-benzodiazepine-5-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-2-oxo-3,5-dihydro-1,4-benzodiazepine-5-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-3-(phenylmethyl)-3,5-dihydro-1,4-benzodiazepine-5-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-2-oxo-3,5-dihydro-1,4-benzodiazepine-5-carbonitrile Traditional Name: 3-benzyl-4-besyl-1-(1H-imidazol-5-ylmethyl)-2-keto-3,5-dihydro-1,4-benzodiazepine-5-carbonitrile Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(N2S(=O)(=O)C4=CC=CC=C4)C#N)CC5=CN=CN5

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(N2S(=O)(=O)C4=CC=CC=C4)C#N)CC5=CN=CN5

InChI

InChI=1S/C27H23N5O3S/c28-16-26-23-13-7-8-14-24(23)31(18-21-17-29-19-30-21)27(33)25(15-20-9-3-1-4-10-20)32(26)36(34,35)22-11-5-2-6-12-22/h1-14,17,19,25-26H,15,18H2,(H,29,30)