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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=O)N2C3CC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C16H18N4O3S/c1-9(21)11-3-5-12(6-4-11)17-14(22)10(2)24-16-19-18-15(23)20(16)13-7-8-13/h3-6,10,13H,7-8H2,1-2H3,(H,17,22)(H,18,23)/t10-/m1/s1