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

Systemtic Name: 4-chloranyl-2-cyclohexyl-5-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one Openeye Name: 4-chloro-2-cyclohexyl-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-isothiazol-3-one CAS Name: 4-chloro-2-cyclohexyl-5-[(1-oxido-2-pyridin-1-iumyl)thio]-3-isothiazolone IUPAC Name: 4-chloro-2-cyclohexyl-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one Traditional Name: 4-chloro-2-cyclohexyl-5-[(1-oxidopyridin-1-ium-2-yl)thio]-4-isothiazolin-3-one Formula: C14H15ClN2O2S2 MolecularWeight: 342.8641

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C(S2)SC3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C(S2)SC3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C14H15ClN2O2S2/c15-12-13(18)17(10-6-2-1-3-7-10)21-14(12)20-11-8-4-5-9-16(11)19/h4-5,8-10H,1-3,6-7H2