N-(2-ethyl-4-sulfanyl-butyl)pyridine-3-carboxamide; 2,4,6-tris(chloranyl)phenol

Systemtic Name: N-(2-ethyl-4-sulfanyl-butyl)pyridine-3-carboxamide; 2,4,6-tris(chloranyl)phenol Openeye Name: N-(2-ethyl-4-sulfanyl-butyl)pyridine-3-carboxamide; 2,4,6-trichlorophenol CAS Name: N-(2-ethyl-4-mercaptobutyl)-3-pyridinecarboxamide; 2,4,6-trichlorophenol IUPAC Name: N-(2-ethyl-4-sulfanylbutyl)pyridine-3-carboxamide; 2,4,6-trichlorophenol Traditional Name: N-(2-ethyl-4-mercapto-butyl)nicotinamide; 2,4,6-trichlorophenol Formula: C18H21Cl3N2O2S MolecularWeight: 435.79554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCS)CNC(=O)C1=CN=CC=C1.C1=C(C=C(C(=C1Cl)O)Cl)Cl

Isomeric SMILES

CCC(CCS)CNC(=O)C1=CN=CC=C1.C1=C(C=C(C(=C1Cl)O)Cl)Cl

InChI

InChI=1S/C12H18N2OS.C6H3Cl3O/c1-2-10(5-7-16)8-14-12(15)11-4-3-6-13-9-11;7-3-1-4(8)6(10)5(9)2-3/h3-4,6,9-10,16H,2,5,7-8H2,1H3,(H,14,15);1-2,10H