2-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]-1,2-thiazol-3-one

Systemtic Name: 2-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]-1,2-thiazol-3-one Openeye Name: 2-[[4-(thiadiazol-4-yl)phenyl]methyl]isothiazol-3-one CAS Name: 2-[[4-(4-thiadiazolyl)phenyl]methyl]-3-isothiazolone IUPAC Name: 2-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,2-thiazol-3-one Traditional Name: 2-[4-(thiadiazol-4-yl)benzyl]-4-isothiazolin-3-one Formula: C12H9N3OS2 MolecularWeight: 275.34936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=CS2)C3=CSN=N3

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=CS2)C3=CSN=N3

InChI

InChI=1S/C12H9N3OS2/c16-12-5-6-18-15(12)7-9-1-3-10(4-2-9)11-8-17-14-13-11/h1-6,8H,7H2