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

Systemtic Name: 5-[(3,5-dimethylphenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-(3,5-dimethylanilino)-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-(3,5-dimethylanilino)-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-(3,5-dimethylanilino)-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-(3,5-dimethylanilino)-3-keto-4-isothiazoline-4-carbonitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3OS/c1-7-3-8(2)5-9(4-7)14-12-10(6-13)11(16)15-17-12/h3-5,14H,1-2H3,(H,15,16)