2-chloranyl-7-methylsulfanyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-7-methylsulfanyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-7-(methylthio)-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]quinoline IUPAC Name: 2-chloro-7-methylsulfanyl-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7-(methylthio)-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]quinoline Formula: C16H13ClN2OS2 MolecularWeight: 348.87022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CSC3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C16H13ClN2OS2/c1-21-13-6-5-11-8-12(16(17)18-14(11)9-13)10-22-15-4-2-3-7-19(15)20/h2-9H,10H2,1H3