1,2-dimethyl-5-oxidanylidene-7-phenyl-3-thiophen-2-yl-3,4-dihydro-1,2-diazepine-6-carbonitrile

Systemtic Name: 1,2-dimethyl-5-oxidanylidene-7-phenyl-3-thiophen-2-yl-3,4-dihydro-1,2-diazepine-6-carbonitrile Openeye Name: 1,2-dimethyl-5-oxo-7-phenyl-3-(2-thienyl)-3,4-dihydrodiazepine-6-carbonitrile CAS Name: 1,2-dimethyl-5-oxo-7-phenyl-3-thiophen-2-yl-3,4-dihydrodiazepine-6-carbonitrile IUPAC Name: 1,2-dimethyl-5-oxo-7-phenyl-3-thiophen-2-yl-3,4-dihydrodiazepine-6-carbonitrile Traditional Name: 5-keto-1,2-dimethyl-7-phenyl-3-(2-thienyl)-3,4-dihydrodiazepine-6-carbonitrile Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(=O)C(=C(N1C)C2=CC=CC=C2)C#N)C3=CC=CS3

Isomeric SMILES

CN1C(CC(=O)C(=C(N1C)C2=CC=CC=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C18H17N3OS/c1-20-15(17-9-6-10-23-17)11-16(22)14(12-19)18(21(20)2)13-7-4-3-5-8-13/h3-10,15H,11H2,1-2H3