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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-propyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[[4-propyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-propyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H20ClN5OS MolecularWeight: 401.913

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C)C3=CN=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C)C3=CN=CC=C3

InChI

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