1-(2-methyl-5-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2-methyl-5-nitrophenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-methyl-5-nitro-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H16N6O4S2 MolecularWeight: 444.48744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H16N6O4S2/c1-12-3-6-14(24(25)26)11-16(12)22-18(29)21-13-4-7-15(8-5-13)30(27,28)23-17-19-9-2-10-20-17/h2-11H,1H3,(H,19,20,23)(H2,21,22,29)