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

Systemtic Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-propyl-propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1CC)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN=C(N1CC)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4OS/c1-4-11-17-15(21)12(3)22-16-19-18-14(20(16)5-2)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,17,21)/t12-/m0/s1