4-[[3-(5-azanyl-1-phenyl-pyrazol-4-yl)-2-sulfanylidene-quinoxalin-1-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[3-(5-azanyl-1-phenyl-pyrazol-4-yl)-2-sulfanylidene-quinoxalin-1-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[3-(5-amino-1-phenyl-pyrazol-4-yl)-2-thioxo-quinoxalin-1-yl]azo-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[3-(5-amino-1-phenyl-4-pyrazolyl)-2-sulfanylidene-1-quinoxalinyl]azo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[3-(5-amino-1-phenylpyrazol-4-yl)-2-sulfanylidenequinoxalin-1-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[3-(5-amino-1-phenyl-pyrazol-4-yl)-2-thioxo-quinoxalin-1-yl]azo-N-(2-pyrimidyl)benzenesulfonamide Formula: C27H20N10O2S2 MolecularWeight: 580.6435

Click to see the large picture

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)N

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)N

InChI

InChI=1S/C27H20N10O2S2/c28-25-21(17-31-36(25)19-7-2-1-3-8-19)24-26(40)37(23-10-5-4-9-22(23)32-24)35-33-18-11-13-20(14-12-18)41(38,39)34-27-29-15-6-16-30-27/h1-17H,28H2,(H,29,30,34)