1-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)pyrazole-4-carboxylic acid CAS Name: 1-(1,3-benzothiazol-2-yl)-5-(2,5-dimethyl-1-pyrrolyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)pyrazole-4-carboxylic acid Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)O)C

InChI

InChI=1S/C17H14N4O2S/c1-10-7-8-11(2)20(10)15-12(16(22)23)9-18-21(15)17-19-13-5-3-4-6-14(13)24-17/h3-9H,1-2H3,(H,22,23)