2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)propanamide

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-acetylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-acetylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C20H26N4O2S/c1-13(25)16-8-5-9-17(12-16)21-19(26)14(2)27-20-22-18(23-24-20)11-10-15-6-3-4-7-15/h5,8-9,12,14-15H,3-4,6-7,10-11H2,1-2H3,(H,21,26)(H,22,23,24)