(2S)-N-ethyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-3-24(18-12-8-5-9-13-18)19(26)16(2)28-21-23-22-20(27)25(21)15-14-17-10-6-4-7-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,22,27)/t16-/m0/s1