4-[4-(3-chloranyl-4-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(3-chloranyl-4-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-benzylsulfanyl-4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(3-chloro-4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-benzylsulfanyl-4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-(benzylthio)-4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]pyridine Formula: C21H17ClN4S MolecularWeight: 392.90448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4S/c1-15-7-8-18(13-19(15)22)26-20(17-9-11-23-12-10-17)24-25-21(26)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3