3-(4-methoxyphenyl)-5-[(3-phenoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole hydrochloride

Systemtic Name: 3-(4-methoxyphenyl)-5-[(3-phenoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole hydrochloride Openeye Name: 3-(4-methoxyphenyl)-5-[(3-phenoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole hydrochloride CAS Name: 3-(4-methoxyphenyl)-5-[(3-phenoxyphenyl)methylthio]-4-phenyl-1,2,4-triazole hydrochloride IUPAC Name: 3-(4-methoxyphenyl)-5-[(3-phenoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole hydrochloride Traditional Name: 3-(4-methoxyphenyl)-5-[(3-phenoxybenzyl)thio]-4-phenyl-1,2,4-triazole hydrochloride Formula: C28H24ClN3O2S MolecularWeight: 502.02706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)OC5=CC=CC=C5.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)OC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H23N3O2S.ClH/c1-32-24-17-15-22(16-18-24)27-29-30-28(31(27)23-10-4-2-5-11-23)34-20-21-9-8-14-26(19-21)33-25-12-6-3-7-13-25;/h2-19H,20H2,1H3;1H