2-(1,3-benzothiazol-2-yl)-5-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-3-pyrazolin-3-one Formula: C17H13N3OS MolecularWeight: 307.36962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=O)N(N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=O)N(N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N3OS/c21-16-11-13(10-12-6-2-1-3-7-12)19-20(16)17-18-14-8-4-5-9-15(14)22-17/h1-9,11,19H,10H2