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

Systemtic Name: (2S)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isobutyl-propanamide CAS Name: (2S)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-isobutyl-propionamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5OS/c1-13(2)12-23-19(27)14(3)28-20-25-24-18(15-8-10-22-11-9-15)26(20)17-6-4-16(21)5-7-17/h4-11,13-14H,12H2,1-3H3,(H,23,27)/t14-/m0/s1