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

Systemtic Name: 2-[[4-(4-chloranylpyrazol-1-yl)phenyl]methyl]-1,2-thiazol-3-one Openeye Name: 2-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]isothiazol-3-one CAS Name: 2-[[4-(4-chloro-1-pyrazolyl)phenyl]methyl]-3-isothiazolone IUPAC Name: 2-[[4-(4-chloropyrazol-1-yl)phenyl]methyl]-1,2-thiazol-3-one Traditional Name: 2-[4-(4-chloropyrazol-1-yl)benzyl]-4-isothiazolin-3-one Formula: C13H10ClN3OS MolecularWeight: 291.756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C=CS2)N3C=C(C=N3)Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C=CS2)N3C=C(C=N3)Cl

InChI

InChI=1S/C13H10ClN3OS/c14-11-7-15-16(9-11)12-3-1-10(2-4-12)8-17-13(18)5-6-19-17/h1-7,9H,8H2