3-oxidanylidene-5-(1-phenylethylamino)-1,2-thiazole-4-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3OS/c1-8(9-5-3-2-4-6-9)14-12-10(7-13)11(16)15-17-12/h2-6,8,14H,1H3,(H,15,16)