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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethanoylphenyl)propanamide Openeye Name: N-(2-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C16H18N4O2S/c1-9(21)12-5-3-4-6-13(12)17-15(22)10(2)23-16-18-14(19-20-16)11-7-8-11/h3-6,10-11H,7-8H2,1-2H3,(H,17,22)(H,18,19,20)