1-(1H-pyrazol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(1H-pyrazol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1H-pyrazol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1H-pyrazol-5-ylmethyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1H-pyrazol-5-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1H-pyrazol-5-ylmethyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C15H15N7O2S2 MolecularWeight: 389.4553

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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)NCC3=CC=NN3

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=NN3

InChI

InChI=1S/C15H15N7O2S2/c23-26(24,22-14-16-7-1-8-17-14)13-4-2-11(3-5-13)20-15(25)18-10-12-6-9-19-21-12/h1-9H,10H2,(H,19,21)(H,16,17,22)(H2,18,20,25)