5-chloranyl-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 5-chloro-2-[(4-pyrazol-1-ylphenyl)methyl]isothiazol-3-one CAS Name: 5-chloro-2-[[4-(1-pyrazolyl)phenyl]methyl]-3-isothiazolone IUPAC Name: 5-chloro-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 5-chloro-2-(4-pyrazol-1-ylbenzyl)-4-isothiazolin-3-one Formula: C13H10ClN3OS MolecularWeight: 291.756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CN3C(=O)C=C(S3)Cl

InChI

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