3-[3-aminocarbonyl-5-phenyl-1-(phenylmethyl)pyrazol-4-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-aminocarbonyl-5-phenyl-1-(phenylmethyl)pyrazol-4-yl]thiophene-2-carboxylic acid Openeye Name: 3-(1-benzyl-3-carbamoyl-5-phenyl-pyrazol-4-yl)thiophene-2-carboxylic acid CAS Name: 3-[3-carbamoyl-5-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-thiophenecarboxylic acid IUPAC Name: 3-(1-benzyl-3-carbamoyl-5-phenylpyrazol-4-yl)thiophene-2-carboxylic acid Traditional Name: 3-(1-benzyl-3-carbamoyl-5-phenyl-pyrazol-4-yl)-2-thenoic acid Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(=O)N)C3=C(SC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(=O)N)C3=C(SC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c23-21(26)18-17(16-11-12-29-20(16)22(27)28)19(15-9-5-2-6-10-15)25(24-18)13-14-7-3-1-4-8-14/h1-12H,13H2,(H2,23,26)(H,27,28)