1-(5-nitropyridin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(5-nitropyridin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(5-nitro-2-pyridyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(5-nitro-2-pyridinyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(5-nitropyridin-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(5-nitro-2-pyridyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C16H13N7O4S2 MolecularWeight: 431.44892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O4S2/c24-23(25)12-4-7-14(19-10-12)21-16(28)20-11-2-5-13(6-3-11)29(26,27)22-15-17-8-1-9-18-15/h1-10H,(H,17,18,22)(H2,19,20,21,28)