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

Systemtic Name: (2S)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C19H20ClN5OS/c1-3-10-22-18(26)13(2)27-19-24-23-17(14-8-11-21-12-9-14)25(19)16-6-4-15(20)5-7-16/h4-9,11-13H,3,10H2,1-2H3,(H,22,26)/t13-/m0/s1