N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-propyl-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:

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CC=NC=C3

InChI

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