2-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-phenyl-1H-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)C2=NC(=NN2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

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