4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1-methyl-2-imidazolyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-methylimidazol-2-yl)thio]methyl]benzonitrile Formula: C12H11N3S MolecularWeight: 229.30084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C=CN=C1SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H11N3S/c1-15-7-6-14-12(15)16-9-11-4-2-10(8-13)3-5-11/h2-7H,9H2,1H3