3-[(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)methyl]benzaldehyde

Systemtic Name: 3-[(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)methyl]benzaldehyde Openeye Name: 3-[(5-chloro-3-oxo-isothiazol-2-yl)methyl]benzaldehyde CAS Name: 3-[(5-chloro-3-oxo-2-isothiazolyl)methyl]benzaldehyde IUPAC Name: 3-[(5-chloro-3-oxo-1,2-thiazol-2-yl)methyl]benzaldehyde Traditional Name: 3-[(5-chloro-3-keto-4-isothiazolin-2-yl)methyl]benzaldehyde Formula: C11H8ClNO2S MolecularWeight: 253.70472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClNO2S/c12-10-5-11(15)13(16-10)6-8-2-1-3-9(4-8)7-14/h1-5,7H,6H2