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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O2S/c1-17(2)15-27-22(19-9-11-20(29-3)12-10-19)25-26-23(27)30-16-21(28)24-14-13-18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3,(H,24,28)