3-oxidanylidene-2-phenethyl-1,2-thiazole-5-carbonitrile

Systemtic Name: 3-oxidanylidene-2-phenethyl-1,2-thiazole-5-carbonitrile Openeye Name: 3-oxo-2-phenethyl-isothiazole-5-carbonitrile CAS Name: 3-oxo-2-phenethyl-5-isothiazolecarbonitrile IUPAC Name: 3-oxo-2-phenethyl-1,2-thiazole-5-carbonitrile Traditional Name: 3-keto-2-phenethyl-4-isothiazoline-5-carbonitrile Formula: C12H10N2OS MolecularWeight: 230.2856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C=C(S2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C=C(S2)C#N

InChI

InChI=1S/C12H10N2OS/c13-9-11-8-12(15)14(16-11)7-6-10-4-2-1-3-5-10/h1-5,8H,6-7H2