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

Systemtic Name: (2R)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2R)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2R)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2R)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-propionamide Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCN1C(=O)NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H24N4O3S/c1-4-6-11-21-16(23)19-20-17(21)25-12(3)15(22)18-13-7-9-14(10-8-13)24-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,18,22)(H,19,23)/t12-/m1/s1