3-[(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)diazenyl]benzoic acid

Systemtic Name: 3-[(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)diazenyl]benzoic acid Openeye Name: 3-[(4,6-diphenyl-2-thioxo-5H-pyrimidin-5-yl)azo]benzoic acid CAS Name: 3-[(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)azo]benzoic acid IUPAC Name: 3-[(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)diazenyl]benzoic acid Traditional Name: 3-[(4,6-diphenyl-2-thioxo-5H-pyrimidin-5-yl)azo]benzoic acid Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)N=C(C2N=NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)N=C(C2N=NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H16N4O2S/c28-22(29)17-12-7-13-18(14-17)26-27-21-19(15-8-3-1-4-9-15)24-23(30)25-20(21)16-10-5-2-6-11-16/h1-14,21H,(H,28,29)