2-[(3-pyridin-4-ylphenyl)methyl]-1,2-thiazol-3-one

Systemtic Name: 2-[(3-pyridin-4-ylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 2-[[3-(4-pyridyl)phenyl]methyl]isothiazol-3-one CAS Name: 2-[(3-pyridin-4-ylphenyl)methyl]-3-isothiazolone IUPAC Name: 2-[(3-pyridin-4-ylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 2-[3-(4-pyridyl)benzyl]-4-isothiazolin-3-one Formula: C15H12N2OS MolecularWeight: 268.33358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C=CS2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C=CS2)C3=CC=NC=C3

InChI

InChI=1S/C15H12N2OS/c18-15-6-9-19-17(15)11-12-2-1-3-14(10-12)13-4-7-16-8-5-13/h1-10H,11H2