5-(4-methylphenyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-(4-methylphenyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-(p-tolyl)isothiazole-4-carbonitrile CAS Name: 5-(4-methylphenyl)-3-(methylthio)-4-isothiazolecarbonitrile IUPAC Name: 5-(4-methylphenyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(methylthio)-5-(p-tolyl)isothiazole-4-carbonitrile Formula: C12H10N2S2 MolecularWeight: 246.3512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NS2)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NS2)SC)C#N

InChI

InChI=1S/C12H10N2S2/c1-8-3-5-9(6-4-8)11-10(7-13)12(15-2)14-16-11/h3-6H,1-2H3