4-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(4-chlorophenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H14ClN5S MolecularWeight: 403.88736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H14ClN5S/c22-17-8-10-18(11-9-17)27-20(19-3-1-2-12-24-19)25-26-21(27)28-14-16-6-4-15(13-23)5-7-16/h1-12H,14H2