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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N4O2S/c1-4-12(5-2)17-14(21)10-23-16-18-15(19-20-16)11-6-8-13(22-3)9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H,17,21)(H,18,19,20)