3-[[2-[(2-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-[(2-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-[(2-fluorophenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-[(2-fluorophenyl)methylthio]-5-(phenylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2-fluorophenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-[(2-fluorobenzyl)thio]-5-(phenylthio)pyrimidine-4-carbonyl]amino]benzoic acid Formula: C25H18FN3O3S2 MolecularWeight: 491.557123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC(=C3)C(=O)O)SCC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC(=C3)C(=O)O)SCC4=CC=CC=C4F

InChI

InChI=1S/C25H18FN3O3S2/c26-20-12-5-4-7-17(20)15-33-25-27-14-21(34-19-10-2-1-3-11-19)22(29-25)23(30)28-18-9-6-8-16(13-18)24(31)32/h1-14H,15H2,(H,28,30)(H,31,32)