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

Systemtic Name: 4-[4-(4-bromophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-bromophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-bromophenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-bromophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-bromophenyl)-5-(m-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=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

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

InChI

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