3-[3-[(2-phenylsulfanylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(2-phenylsulfanylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[(2-phenylsulfanylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[oxo-[2-(phenylthio)anilino]methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[(2-phenylsulfanylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[[2-(phenylthio)phenyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=NN(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=NN(C=C3)CCC(=O)O

InChI

InChI=1S/C19H17N3O3S/c23-18(24)11-13-22-12-10-16(21-22)19(25)20-15-8-4-5-9-17(15)26-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,20,25)(H,23,24)