5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(m-tolylmethylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C23H19ClN6O3S2 MolecularWeight: 527.01836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

InChI

InChI=1S/C23H19ClN6O3S2/c1-15-4-2-5-16(12-15)14-34-23-27-13-19(24)20(29-23)21(31)28-17-6-8-18(9-7-17)35(32,33)30-22-25-10-3-11-26-22/h2-13H,14H2,1H3,(H,28,31)(H,25,26,30)