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

Systemtic Name: 4-chloranyl-5-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-(phenylmethyl)-1,2-thiazol-3-one Openeye Name: 2-benzyl-4-chloro-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-isothiazol-3-one CAS Name: 4-chloro-5-[(1-oxido-2-pyridin-1-iumyl)thio]-2-(phenylmethyl)-3-isothiazolone IUPAC Name: 2-benzyl-4-chloro-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one Traditional Name: 2-benzyl-4-chloro-5-[(1-oxidopyridin-1-ium-2-yl)thio]-4-isothiazolin-3-one Formula: C15H11ClN2O2S2 MolecularWeight: 350.84304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(S2)SC3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(S2)SC3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C15H11ClN2O2S2/c16-13-14(19)18(10-11-6-2-1-3-7-11)22-15(13)21-12-8-4-5-9-17(12)20/h1-9H,10H2