4-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)butanenitrile

Systemtic Name: 4-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)butanenitrile Openeye Name: 4-(3-oxo-4H-1,4-benzothiazin-2-yl)butanenitrile CAS Name: 4-(3-oxo-4H-1,4-benzothiazin-2-yl)butanenitrile IUPAC Name: 4-(3-oxo-4H-1,4-benzothiazin-2-yl)butanenitrile Traditional Name: 4-(3-keto-4H-1,4-benzothiazin-2-yl)butyronitrile Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(S2)CCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(S2)CCCC#N

InChI

InChI=1S/C12H12N2OS/c13-8-4-3-7-11-12(15)14-9-5-1-2-6-10(9)16-11/h1-2,5-6,11H,3-4,7H2,(H,14,15)