4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-methoxyphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H23N3O2S/c1-3-29-21-14-12-20(13-15-21)27-23(19-10-7-11-22(16-19)28-2)25-26-24(27)30-17-18-8-5-4-6-9-18/h4-16H,3,17H2,1-2H3