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

Systemtic Name: 2-[4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C22H16N4S MolecularWeight: 368.45424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H16N4S/c23-14-19-6-4-5-9-21(19)18-12-10-17(11-13-18)15-27-22-25-24-16-26(22)20-7-2-1-3-8-20/h1-13,16H,15H2