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

Systemtic Name: 2-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C23H18N4S MolecularWeight: 382.48082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H18N4S/c1-17-25-26-23(27(17)21-8-3-2-4-9-21)28-16-18-11-13-19(14-12-18)22-10-6-5-7-20(22)15-24/h2-14H,16H2,1H3