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

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-17(2)13-14-26-20(15-28-19-11-7-4-8-12-19)24-25-22(26)29-16-21(27)23-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3,(H,23,27)