2-but-1-en-2-yl-6-chloranyl-pyridine; 3-methyl-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: 2-but-1-en-2-yl-6-chloranyl-pyridine; 3-methyl-4-methylsulfanyl-benzenesulfonamide Openeye Name: 2-chloro-6-(1-methylenepropyl)pyridine; 3-methyl-4-methylsulfanyl-benzenesulfonamide CAS Name: 2-but-1-en-2-yl-6-chloropyridine; 3-methyl-4-(methylthio)benzenesulfonamide IUPAC Name: 2-but-1-en-2-yl-6-chloropyridine; 3-methyl-4-methylsulfanylbenzenesulfonamide Traditional Name: 2-chloro-6-(1-ethylvinyl)pyridine; 3-methyl-4-(methylthio)benzenesulfonamide Formula: C17H21ClN2O2S2 MolecularWeight: 384.94384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C1=NC(=CC=C1)Cl.CC1=C(C=CC(=C1)S(=O)(=O)N)SC

Isomeric SMILES

CCC(=C)C1=NC(=CC=C1)Cl.CC1=C(C=CC(=C1)S(=O)(=O)N)SC

InChI

InChI=1S/C9H10ClN.C8H11NO2S2/c1-3-7(2)8-5-4-6-9(10)11-8;1-6-5-7(13(9,10)11)3-4-8(6)12-2/h4-6H,2-3H2,1H3;3-5H,1-2H3,(H2,9,10,11)