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

Systemtic Name: 4-chloranyl-2-octyl-5-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one Openeye Name: 4-chloro-2-octyl-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-isothiazol-3-one CAS Name: 4-chloro-2-octyl-5-[(1-oxido-2-pyridin-1-iumyl)thio]-3-isothiazolone IUPAC Name: 4-chloro-2-octyl-5-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1,2-thiazol-3-one Traditional Name: 4-chloro-2-octyl-5-[(1-oxidopyridin-1-ium-2-yl)thio]-4-isothiazolin-3-one Formula: C16H21ClN2O2S2 MolecularWeight: 372.93314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C(S1)SC2=CC=CC=[N+]2[O-])Cl

Isomeric SMILES

CCCCCCCCN1C(=O)C(=C(S1)SC2=CC=CC=[N+]2[O-])Cl

InChI

InChI=1S/C16H21ClN2O2S2/c1-2-3-4-5-6-8-12-19-15(20)14(17)16(23-19)22-13-10-7-9-11-18(13)21/h7,9-11H,2-6,8,12H2,1H3