4-[4-(4-bromophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(4-bromophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-bromophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-bromophenyl)-5-[(4-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-bromophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-bromophenyl)-5-(p-anisylthio)-1,2,4-triazol-3-yl]pyridine Formula: C21H17BrN4OS MolecularWeight: 453.35488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H17BrN4OS/c1-27-19-8-2-15(3-9-19)14-28-21-25-24-20(16-10-12-23-13-11-16)26(21)18-6-4-17(22)5-7-18/h2-13H,14H2,1H3