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

Systemtic Name: [4-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-[(4-chlorophenyl)sulfonylamino]-2-quinoxalinyl]amino]phenyl] ester IUPAC Name: [4-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]phenyl] ester Formula: C21H14ClN5O2S2 MolecularWeight: 467.95116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)SC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C21H14ClN5O2S2/c22-14-5-11-17(12-6-14)31(28,29)27-21-20(25-18-3-1-2-4-19(18)26-21)24-15-7-9-16(10-8-15)30-13-23/h1-12H,(H,24,25)(H,26,27)