[5-nitro-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl] thiocyanate

Systemtic Name: [5-nitro-2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl] thiocyanate Openeye Name: [5-nitro-2-(4-sulfamoylanilino)pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [5-nitro-2-(4-sulfamoylanilino)-4-pyrimidinyl] ester IUPAC Name: [5-nitro-2-(4-sulfamoylanilino)pyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-nitro-2-(4-sulfamoylanilino)pyrimidin-4-yl] ester Formula: C11H8N6O4S2 MolecularWeight: 352.34902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C11H8N6O4S2/c12-6-22-10-9(17(18)19)5-14-11(16-10)15-7-1-3-8(4-2-7)23(13,20)21/h1-5H,(H2,13,20,21)(H,14,15,16)