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

Systemtic Name: 2-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]acetonitrile CAS Name: 2-[4-(3-chlorophenyl)-5-methyl-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]acetonitrile Formula: C12H9ClN2S MolecularWeight: 248.73126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)CC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(N=C(S1)CC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H9ClN2S/c1-8-12(15-11(16-8)5-6-14)9-3-2-4-10(13)7-9/h2-4,7H,5H2,1H3