2-(4-chlorophenyl)-5-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-5-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one Openeye Name: 2-(4-chlorophenyl)-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-isothiazol-3-one CAS Name: 2-(4-chlorophenyl)-5-[(1-oxido-2-pyridin-1-iumyl)thio]-3-isothiazolone IUPAC Name: 2-(4-chlorophenyl)-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one Traditional Name: 2-(4-chlorophenyl)-5-[(1-oxidopyridin-1-ium-2-yl)thio]-4-isothiazolin-3-one Formula: C14H9ClN2O2S2 MolecularWeight: 336.81646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SC2=CC(=O)N(S2)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SC2=CC(=O)N(S2)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C14H9ClN2O2S2/c15-10-4-6-11(7-5-10)17-12(18)9-14(21-17)20-13-3-1-2-8-16(13)19/h1-9H