4-[(3-oxidanylidene-1,2-thiazol-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-oxidanylidene-1,2-thiazol-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-oxoisothiazol-2-yl)methyl]benzonitrile CAS Name: 4-[(3-oxo-2-isothiazolyl)methyl]benzonitrile IUPAC Name: 4-[(3-oxo-1,2-thiazol-2-yl)methyl]benzonitrile Traditional Name: 4-[(3-keto-4-isothiazolin-2-yl)methyl]benzonitrile Formula: C11H8N2OS MolecularWeight: 216.25902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=CS2)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=CS2)C#N

InChI

InChI=1S/C11H8N2OS/c12-7-9-1-3-10(4-2-9)8-13-11(14)5-6-15-13/h1-6H,8H2