4-[[1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoic acid Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)CCC#N

Isomeric SMILES

C1=CSC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)O)CCC#N

InChI

InChI=1S/C18H14N4O3S/c19-8-2-9-22-11-14(16(21-22)15-3-1-10-26-15)17(23)20-13-6-4-12(5-7-13)18(24)25/h1,3-7,10-11H,2,9H2,(H,20,23)(H,24,25)