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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

InChI

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