2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenethyl-ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenethyl-ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenethyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N,N-diphenethylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenethylacetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N,N-diphenethyl-acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-33-24-14-12-23(13-15-24)26-28-27(30-29-26)34-20-25(32)31(18-16-21-8-4-2-5-9-21)19-17-22-10-6-3-7-11-22/h2-15H,16-20H2,1H3,(H,28,29,30)