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

Systemtic Name: (2R)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-propanamide CAS Name: (2R)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-phenethylpropanamide IUPAC Name: (2R)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylpropanamide Traditional Name: (2R)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-phenethyl-propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCN1C(=O)NN=C1S[C@H](C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-3-11-20-15(22)18-19-16(20)23-12(2)14(21)17-10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1