4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C22H18ClN3OS MolecularWeight: 407.91582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3OS/c1-27-20-10-6-5-9-19(20)21-24-25-22(28-15-16-7-3-2-4-8-16)26(21)18-13-11-17(23)12-14-18/h2-14H,15H2,1H3