4-[5-azanyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-azanyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-amino-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-amino-3-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-amino-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenylpyrazol-1-yl]benzoic acid Traditional Name: 4-[5-amino-3-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid Formula: C24H18N4O2S2 MolecularWeight: 458.55532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)C(=O)O)N

InChI

InChI=1S/C24H18N4O2S2/c25-22-21(15-6-2-1-3-7-15)19(14-31-24-26-18-8-4-5-9-20(18)32-24)27-28(22)17-12-10-16(11-13-17)23(29)30/h1-13H,14,25H2,(H,29,30)