1-(2-methylsulfonylethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(2-methylsulfonylethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-(2-methylsulfonylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(2-methylsulfonylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-(2-methylsulfonylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 2-keto-1-(2-mesylethyl)-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-26(24,25)10-9-22-17-8-7-14(12-20)11-16(17)19(21-13-18(22)23)15-5-3-2-4-6-15/h2-8,11H,9-10,13H2,1H3