1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethylphenyl)pyrazole-3-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethylphenyl)pyrazole-3-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethylphenyl)pyrazole-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethylphenyl)-3-pyrazolecarboxylate IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-(3,4-dimethylphenyl)pyrazole-3-carboxylate Formula: C19H14N3O2S- MolecularWeight: 348.39836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2C3=NC4=CC=CC=C4S3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2C3=NC4=CC=CC=C4S3)C(=O)[O-])C

InChI

InChI=1S/C19H15N3O2S/c1-11-7-8-13(9-12(11)2)16-10-15(18(23)24)21-22(16)19-20-14-5-3-4-6-17(14)25-19/h3-10H,1-2H3,(H,23,24)/p-1