2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H14N4S/c1-21-12-19-20-17(21)22-11-13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-18/h2-9,12H,11H2,1H3