4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidin-5-ylcarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidin-5-ylcarbonylamino)thiophene-3-carboxylic acid Openeye Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid CAS Name: 4-[1-(4-chlorophenyl)-4-pyrazolyl]-2-[[oxo(5-pyrimidinyl)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid Traditional Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)-3-thenoic acid Formula: C19H12ClN5O3S MolecularWeight: 425.84828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C=N2)C3=CSC(=C3C(=O)O)NC(=O)C4=CN=CN=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C=N2)C3=CSC(=C3C(=O)O)NC(=O)C4=CN=CN=C4)Cl

InChI

InChI=1S/C19H12ClN5O3S/c20-13-1-3-14(4-2-13)25-8-12(7-23-25)15-9-29-18(16(15)19(27)28)24-17(26)11-5-21-10-22-6-11/h1-10H,(H,24,26)(H,27,28)