2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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