3-oxidanylidene-5,7-dihydro-4H-[2]benzothiepino[4,5-b]pyridine-2-carbonitrile

Systemtic Name: 3-oxidanylidene-5,7-dihydro-4H-[2]benzothiepino[4,5-b]pyridine-2-carbonitrile Openeye Name: 3-oxo-5,7-dihydro-4H-[2]benzothiepino[4,5-b]pyridine-2-carbonitrile CAS Name: 3-oxo-5,7-dihydro-4H-[2]benzothiepino[4,5-b]pyridine-2-carbonitrile IUPAC Name: 3-oxo-5,7-dihydro-4H-[2]benzothiepino[4,5-b]pyridine-2-carbonitrile Traditional Name: 3-keto-5,7-dihydro-4H-[2]benzothiepino[4,5-b]pyridine-2-carbonitrile Formula: C14H10N2OS MolecularWeight: 254.307

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C(CS1)NC(=O)C(=C3)C#N

Isomeric SMILES

C1C2=CC=CC=C2C3=C(CS1)NC(=O)C(=C3)C#N

InChI

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