3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(5-methylpyridin-2-yl)propanamide

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(5-methylpyridin-2-yl)propanamide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(5-methyl-2-pyridyl)propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(5-methyl-2-pyridinyl)propanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(5-methylpyridin-2-yl)propanamide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(5-methyl-2-pyridyl)propionamide Formula: C21H24ClN5OS MolecularWeight: 429.96616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NC2=NC=C(C=C2)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NC2=NC=C(C=C2)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN5OS/c1-3-4-12-26-20(16-6-8-17(22)9-7-16)25-27(21(26)29)13-11-19(28)24-18-10-5-15(2)14-23-18/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,24,28)