2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[5-methyl-4-(p-tolyl)thiazol-2-yl]acetonitrile CAS Name: 2-[5-methyl-4-(4-methylphenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[5-methyl-4-(p-tolyl)thiazol-2-yl]acetonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)CC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)CC#N)C

InChI

InChI=1S/C13H12N2S/c1-9-3-5-11(6-4-9)13-10(2)16-12(15-13)7-8-14/h3-6H,7H2,1-2H3