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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-(p-tolyl)pyrazole-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)-3-pyrazolecarboxylate IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-(p-tolyl)pyrazole-3-carboxylate Formula: C18H12N3O2S- MolecularWeight: 334.37178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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