5-[(4-methylphenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[(4-methylphenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-(4-methylanilino)-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-(4-methylanilino)-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 3-keto-5-(p-toluidino)-4-isothiazoline-4-carbonitrile Formula: C11H9N3OS MolecularWeight: 231.27366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)NS2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)NS2)C#N

InChI

InChI=1S/C11H9N3OS/c1-7-2-4-8(5-3-7)13-11-9(6-12)10(15)14-16-11/h2-5,13H,1H3,(H,14,15)