1-ethyl-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea

Systemtic Name: 1-ethyl-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea Openeye Name: 1-ethyl-3-(2-nitro-4-sulfamoyl-anilino)thiourea CAS Name: 1-ethyl-3-(2-nitro-4-sulfamoylanilino)thiourea IUPAC Name: 1-ethyl-3-(2-nitro-4-sulfamoylanilino)thiourea Traditional Name: 1-ethyl-3-(2-nitro-4-sulfamoyl-anilino)thiourea Formula: C9H13N5O4S2 MolecularWeight: 319.36062

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H13N5O4S2/c1-2-11-9(19)13-12-7-4-3-6(20(10,17)18)5-8(7)14(15)16/h3-5,12H,2H2,1H3,(H2,10,17,18)(H2,11,13,19)