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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-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:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-30-22-15-13-21(14-16-22)28-24(17-12-19-8-4-2-5-9-19)26-27-25(28)31-18-23(29)20-10-6-3-7-11-20/h2-11,13-16H,12,17-18H2,1H3