5-[5-azanyl-3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-phenyl-pyrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-azanyl-3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-phenyl-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-amino-3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-phenyl-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[5-amino-3-[(1H-benzimidazol-2-ylthio)methyl]-4-phenyl-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-amino-3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-phenylpyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-amino-3-[(1H-benzimidazol-2-ylthio)methyl]-4-phenyl-pyrazol-1-yl]-2-chloro-benzoic acid Formula: C24H18ClN5O2S MolecularWeight: 475.95002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC(=C(C=C5)Cl)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC(=C(C=C5)Cl)C(=O)O)N

InChI

InChI=1S/C24H18ClN5O2S/c25-17-11-10-15(12-16(17)23(31)32)30-22(26)21(14-6-2-1-3-7-14)20(29-30)13-33-24-27-18-8-4-5-9-19(18)28-24/h1-12H,13,26H2,(H,27,28)(H,31,32)