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

Systemtic Name: 3-[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-(benzylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS/c1-26-19-11-9-18(10-12-19)25-20(17-8-5-13-22-14-17)23-24-21(25)27-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3