2-(1,3-benzothiazol-2-yl)-5-(phenylmethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(phenylmethyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(phenylmethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-benzyl-2-pyrazolin-3-one Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

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/h1-9H,10-11H2