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

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

Isomeric SMILES

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

InChI

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