5-chloranyl-2-[(E)-3-oxidanylidenebut-1-enyl]-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-[(E)-3-oxidanylidenebut-1-enyl]-1,2-thiazol-3-one Openeye Name: 5-chloro-2-[(E)-3-oxobut-1-enyl]isothiazol-3-one CAS Name: 5-chloro-2-[(E)-3-oxobut-1-enyl]-3-isothiazolone IUPAC Name: 5-chloro-2-[(E)-3-oxobut-1-enyl]-1,2-thiazol-3-one Traditional Name: 5-chloro-2-[(E)-3-ketobut-1-enyl]-4-isothiazolin-3-one Formula: C7H6ClNO2S MolecularWeight: 203.64604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CN1C(=O)C=C(S1)Cl

Isomeric SMILES

CC(=O)/C=C/N1C(=O)C=C(S1)Cl

InChI

InChI=1S/C7H6ClNO2S/c1-5(10)2-3-9-7(11)4-6(8)12-9/h2-4H,1H3/b3-2+