4-[[3-(1-phenylpyrazol-4-yl)-2-sulfanylidene-quinoxalin-1-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[3-(1-phenylpyrazol-4-yl)-2-sulfanylidene-quinoxalin-1-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[3-(1-phenylpyrazol-4-yl)-2-thioxo-quinoxalin-1-yl]azo-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[3-(1-phenyl-4-pyrazolyl)-2-sulfanylidene-1-quinoxalinyl]azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[3-(1-phenylpyrazol-4-yl)-2-sulfanylidenequinoxalin-1-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[3-(1-phenylpyrazol-4-yl)-2-thioxo-quinoxalin-1-yl]azo-N-(2-pyrimidyl)benzenesulfonamide Formula: C27H19N9O2S2 MolecularWeight: 565.62886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C3=NC4=CC=CC=C4N(C3=S)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C3=NC4=CC=CC=C4N(C3=S)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

InChI

InChI=1S/C27H19N9O2S2/c37-40(38,33-27-28-15-6-16-29-27)22-13-11-20(12-14-22)32-34-36-24-10-5-4-9-23(24)31-25(26(36)39)19-17-30-35(18-19)21-7-2-1-3-8-21/h1-18H,(H,28,29,33)