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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

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