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

Systemtic Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(4-ethoxyphenyl)-5-(m-tolyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(m-tolyl)-4-p-phenetyl-1,2,4-triazole Formula: C24H23N3OS MolecularWeight: 401.52392

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3OS/c1-3-28-22-14-12-21(13-15-22)27-23(20-11-7-8-18(2)16-20)25-26-24(27)29-17-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3