3-[3-[(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)methyl]phenyl]prop-2-ynal

Systemtic Name: 3-[3-[(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)methyl]phenyl]prop-2-ynal Openeye Name: 3-[3-[(5-chloro-3-oxo-isothiazol-2-yl)methyl]phenyl]prop-2-ynal CAS Name: 3-[3-[(5-chloro-3-oxo-2-isothiazolyl)methyl]phenyl]-2-propynal IUPAC Name: 3-[3-[(5-chloro-3-oxo-1,2-thiazol-2-yl)methyl]phenyl]prop-2-ynal Traditional Name: 3-[3-[(5-chloro-3-keto-4-isothiazolin-2-yl)methyl]phenyl]propiolaldehyde Formula: C13H8ClNO2S MolecularWeight: 277.72612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C=C(S2)Cl)C#CC=O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C=C(S2)Cl)C#CC=O

InChI

InChI=1S/C13H8ClNO2S/c14-12-8-13(17)15(18-12)9-11-4-1-3-10(7-11)5-2-6-16/h1,3-4,6-8H,9H2