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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-pentylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide Traditional Name: N-amyl-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-3-4-8-15-23-20(27)16-29-22-25-24-21(17-11-13-19(28-2)14-12-17)26(22)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,23,27)