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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-phenyl-1H-pyrazol-3-one Openeye Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one CAS Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one IUPAC Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one Traditional Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-phenyl-3-pyrazolin-3-one Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C18H13N3O2S/c1-11(22)15-16(12-7-3-2-4-8-12)20-21(17(15)23)18-19-13-9-5-6-10-14(13)24-18/h2-10,20H,1H3