1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CN1C=C(C=N1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C16H17N7O2S2/c1-23-11-12(10-20-23)9-19-16(26)21-13-3-5-14(6-4-13)27(24,25)22-15-17-7-2-8-18-15/h2-8,10-11H,9H2,1H3,(H,17,18,22)(H2,19,21,26)