3-[4-(2,4-dimethylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2,4-dimethylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-benzylsulfanyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,4-dimethylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-benzylsulfanyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-(benzylthio)-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]pyridine Formula: C22H20N4S MolecularWeight: 372.486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CN=CC=C4)C

InChI

InChI=1S/C22H20N4S/c1-16-10-11-20(17(2)13-16)26-21(19-9-6-12-23-14-19)24-25-22(26)27-15-18-7-4-3-5-8-18/h3-14H,15H2,1-2H3