2-(6,7-dimethyl-2-oxidanylidene-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-1-yl)ethanenitrile

Systemtic Name: 2-(6,7-dimethyl-2-oxidanylidene-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-1-yl)ethanenitrile Openeye Name: 2-(6,7-dimethyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-1-yl)acetonitrile CAS Name: 2-(6,7-dimethyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-1-yl)acetonitrile IUPAC Name: 2-(6,7-dimethyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-1-yl)acetonitrile Traditional Name: 2-(2-keto-6,7-dimethyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-1-yl)acetonitrile Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NCC(=O)N2CC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NCC(=O)N2CC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C17H15N3OS/c1-11-12(2)22-17-15(11)16(13-6-4-3-5-7-13)19-10-14(21)20(17)9-8-18/h3-7H,9-10H2,1-2H3