N-butyl-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-3-5-15-23-20(27)16-29-22-25-24-21(17-9-7-6-8-10-17)26(22)18-11-13-19(14-12-18)28-4-2/h6-14H,3-5,15-16H2,1-2H3,(H,23,27)