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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)CC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H22N4O2S/c1-10(2)9-15-19-17(21-20-15)24-12(4)16(23)18-14-7-5-13(6-8-14)11(3)22/h5-8,10,12H,9H2,1-4H3,(H,18,23)(H,19,20,21)