1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-3-(phenylmethyl)-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-besyl-1-(1H-imidazol-5-ylmethyl)-2-keto-3,5-dihydro-1,4-benzodiazepine-7-carbonitrile Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)N(C(=O)C(N1S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)N(C(=O)C(N1S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)CC5=CN=CN5

InChI

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