1-(1,3-dimethylpyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-dimethyl-4-pyrazolyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C16H17N7O2S2 MolecularWeight: 403.48188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C16H17N7O2S2/c1-11-14(10-23(2)21-11)20-16(26)19-12-4-6-13(7-5-12)27(24,25)22-15-17-8-3-9-18-15/h3-10H,1-2H3,(H,17,18,22)(H2,19,20,26)