5-chloranyl-2-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]-1,2-thiazol-3-one Openeye Name: 5-chloro-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]isothiazol-3-one CAS Name: 5-chloro-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-3-isothiazolone IUPAC Name: 5-chloro-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-1,2-thiazol-3-one Traditional Name: 5-chloro-2-[4-(5-keto-1H-1,2,4-triazol-4-yl)phenyl]-4-isothiazolin-3-one Formula: C11H7ClN4O2S MolecularWeight: 294.71688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NNC2=O)N3C(=O)C=C(S3)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=NNC2=O)N3C(=O)C=C(S3)Cl

InChI

InChI=1S/C11H7ClN4O2S/c12-9-5-10(17)16(19-9)8-3-1-7(2-4-8)15-6-13-14-11(15)18/h1-6H,(H,14,18)