N-tert-butyl-2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(4-chlorophenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-(4-chlorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-(4-chlorophenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

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