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

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(o-tolylmethyl)pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(2-methylbenzyl)pyrazol-3-yl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C22H21N7O2S2 MolecularWeight: 479.57784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C22H21N7O2S2/c1-16-5-2-3-6-17(16)15-29-14-11-20(27-29)26-22(32)25-18-7-9-19(10-8-18)33(30,31)28-21-23-12-4-13-24-21/h2-14H,15H2,1H3,(H,23,24,28)(H2,25,26,27,32)