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

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

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CN=CC=C3

InChI

InChI=1S/C19H20ClN5OS/c1-4-25-18(14-6-5-7-21-10-14)23-24-19(25)27-11-16(26)22-17-13(3)8-12(2)9-15(17)20/h5-10H,4,11H2,1-3H3,(H,22,26)