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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-ethanamide Openeye Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-pentylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide Traditional Name: N-amyl-2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NN=C(N1CC(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCNC(=O)CSC1=NN=C(N1CC(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H30N4O2S/c1-5-6-7-12-21-18(25)14-27-20-23-22-19(24(20)13-15(2)3)16-8-10-17(26-4)11-9-16/h8-11,15H,5-7,12-14H2,1-4H3,(H,21,25)