2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]-3-(1H-imidazol-5-yl)propionic acid Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NN2)SC(CC3=CN=CN3)C(=O)O)C4=CC=NC=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NN2)SC(CC3=CN=CN3)C(=O)O)C4=CC=NC=C4)Cl

InChI

InChI=1S/C20H16ClN5O2S/c21-14-3-1-13(2-4-14)18-17(12-5-7-22-8-6-12)19(26-25-18)29-16(20(27)28)9-15-10-23-11-24-15/h1-8,10-11,16H,9H2,(H,23,24)(H,25,26)(H,27,28)