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

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide Openeye Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide CAS Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylpentanamide IUPAC Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpentanamide Traditional Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-valeramide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2S/c1-34-25-17-15-24(16-18-25)32-27(23-12-6-3-7-13-23)30-31-28(32)35-21-9-8-14-26(33)29-20-19-22-10-4-2-5-11-22/h2-7,10-13,15-18H,8-9,14,19-21H2,1H3,(H,29,33)