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

Systemtic Name: 1-(2-ethylsulfonylethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-(2-ethylsulfonylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(2-ethylsulfonylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-(2-ethylsulfonylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 1-(2-esylethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-2-27(25,26)11-10-23-18-9-8-15(13-21)12-17(18)20(22-14-19(23)24)16-6-4-3-5-7-16/h3-9,12H,2,10-11,14H2,1H3