5-chloranyl-2-(6-methylpyridin-3-yl)-3-(4-methylsulfanylphenyl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 5-chloranyl-2-(6-methylpyridin-3-yl)-3-(4-methylsulfanylphenyl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 5-chloro-2-(6-methyl-3-pyridyl)-3-(4-methylsulfanylphenyl)-1-oxido-pyridin-1-ium CAS Name: 5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-(methylthio)phenyl]-1-oxidopyridin-1-ium IUPAC Name: 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfanylphenyl)-1-oxidopyridin-1-ium Traditional Name: 5-chloro-2-(6-methyl-3-pyridyl)-3-[4-(methylthio)phenyl]-1-oxido-pyridin-1-ium Formula: C18H15ClN2OS MolecularWeight: 342.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=[N+](C=C(C=C2C3=CC=C(C=C3)SC)Cl)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)C2=[N+](C=C(C=C2C3=CC=C(C=C3)SC)Cl)[O-]

InChI

InChI=1S/C18H15ClN2OS/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21(18)22)13-5-7-16(23-2)8-6-13/h3-11H,1-2H3