N-butyl-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5OS/c1-3-4-10-23-18(27)13-28-20-25-24-19(15-8-11-22-12-9-15)26(20)17-7-5-6-16(21)14(17)2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,23,27)