2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(m-tolyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H23N3O2S/c1-3-30-22-14-12-21(13-15-22)28-24(20-11-7-8-18(2)16-20)26-27-25(28)31-17-23(29)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3