3-oxidanylidene-5,6-dihydro-4H-[1]benzothiepino[4,5-b]pyridine-2-carbonitrile

Systemtic Name: 3-oxidanylidene-5,6-dihydro-4H-[1]benzothiepino[4,5-b]pyridine-2-carbonitrile Openeye Name: 3-oxo-5,6-dihydro-4H-[1]benzothiepino[4,5-b]pyridine-2-carbonitrile CAS Name: 3-oxo-5,6-dihydro-4H-[1]benzothiepino[4,5-b]pyridine-2-carbonitrile IUPAC Name: 3-oxo-5,6-dihydro-4H-[1]benzothiepino[4,5-b]pyridine-2-carbonitrile Traditional Name: 3-keto-5,6-dihydro-4H-[1]benzothiepino[4,5-b]pyridine-2-carbonitrile Formula: C14H10N2OS MolecularWeight: 254.307

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C3=C1NC(=O)C(=C3)C#N

Isomeric SMILES

C1CSC2=CC=CC=C2C3=C1NC(=O)C(=C3)C#N

InChI

InChI=1S/C14H10N2OS/c15-8-9-7-11-10-3-1-2-4-13(10)18-6-5-12(11)16-14(9)17/h1-4,7H,5-6H2,(H,16,17)