1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H18ClN7O2S2 MolecularWeight: 499.99632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

InChI

InChI=1S/C21H18ClN7O2S2/c22-18-14-29(13-15-5-2-1-3-6-15)27-19(18)26-21(32)25-16-7-9-17(10-8-16)33(30,31)28-20-23-11-4-12-24-20/h1-12,14H,13H2,(H,23,24,28)(H2,25,26,27,32)