[4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-[(3-nitrophenyl)sulfonylamino]-2-quinoxalinyl]amino]phenyl] ester IUPAC Name: [4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] ester Formula: C21H14N6O4S2 MolecularWeight: 478.50366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C21H14N6O4S2/c22-13-32-16-10-8-14(9-11-16)23-20-21(25-19-7-2-1-6-18(19)24-20)26-33(30,31)17-5-3-4-15(12-17)27(28)29/h1-12H,(H,23,24)(H,25,26)