1-(5-nitropyridin-2-yl)-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-(5-nitropyridin-2-yl)-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-(5-nitro-2-pyridyl)-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-(5-nitro-2-pyridinyl)-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-(5-nitropyridin-2-yl)-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-(5-nitro-2-pyridyl)-3-(4-sulfamoylphenyl)thiourea Formula: C12H11N5O4S2 MolecularWeight: 353.37684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C12H11N5O4S2/c13-23(20,21)10-4-1-8(2-5-10)15-12(22)16-11-6-3-9(7-14-11)17(18)19/h1-7H,(H2,13,20,21)(H2,14,15,16,22)