2-butyl-5-chloranyl-4-methyl-1,2-thiazol-3-one

Systemtic Name: 2-butyl-5-chloranyl-4-methyl-1,2-thiazol-3-one Openeye Name: 2-butyl-5-chloro-4-methyl-isothiazol-3-one CAS Name: 2-butyl-5-chloro-4-methyl-3-isothiazolone IUPAC Name: 2-butyl-5-chloro-4-methyl-1,2-thiazol-3-one Traditional Name: 2-butyl-5-chloro-4-methyl-4-isothiazolin-3-one Formula: C8H12ClNOS MolecularWeight: 205.70498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1)Cl)C

Isomeric SMILES

CCCCN1C(=O)C(=C(S1)Cl)C

InChI

InChI=1S/C8H12ClNOS/c1-3-4-5-10-8(11)6(2)7(9)12-10/h3-5H2,1-2H3