5-chloranyl-2-methyl-1,2-thiazol-3-one; 2-octyl-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-methyl-1,2-thiazol-3-one; 2-octyl-1,2-thiazol-3-one Openeye Name: 5-chloro-2-methyl-isothiazol-3-one; 2-octylisothiazol-3-one CAS Name: 5-chloro-2-methyl-3-isothiazolone; 2-octyl-3-isothiazolone IUPAC Name: 5-chloro-2-methyl-1,2-thiazol-3-one; 2-octyl-1,2-thiazol-3-one Traditional Name: 5-chloro-2-methyl-4-isothiazolin-3-one; 2-octyl-4-isothiazolin-3-one Formula: C15H23ClN2O2S2 MolecularWeight: 362.93832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C=CS1.CN1C(=O)C=C(S1)Cl

Isomeric SMILES

CCCCCCCCN1C(=O)C=CS1.CN1C(=O)C=C(S1)Cl

InChI

InChI=1S/C11H19NOS.C4H4ClNOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;1-6-4(7)2-3(5)8-6/h8,10H,2-7,9H2,1H3;2H,1H3