4-chloranyl-5-(phenylmethyl)-1,2-thiazol-3-one

Systemtic Name: 4-chloranyl-5-(phenylmethyl)-1,2-thiazol-3-one Openeye Name: 5-benzyl-4-chloro-isothiazol-3-one CAS Name: 4-chloro-5-(phenylmethyl)-3-isothiazolone IUPAC Name: 5-benzyl-4-chloro-1,2-thiazol-3-one Traditional Name: 5-benzyl-4-chloro-4-isothiazolin-3-one Formula: C10H8ClNOS MolecularWeight: 225.69462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)NS2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)NS2)Cl

InChI

InChI=1S/C10H8ClNOS/c11-9-8(14-12-10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)