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

Systemtic Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethyl-propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-3-17-15(21)11(2)22-16-18-14(12-9-10-12)20(19-16)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,17,21)/t11-/m0/s1