5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(o-tolylmethylsulfanyl)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(2-methylphenyl)methylthio]-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(2-methylphenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(2-methylbenzyl)thio]-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C22H18ClN5O3S3 MolecularWeight: 532.05802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)Cl

InChI

InChI=1S/C22H18ClN5O3S3/c1-14-4-2-3-5-15(14)13-33-21-25-12-18(23)19(27-21)20(29)26-16-6-8-17(9-7-16)34(30,31)28-22-24-10-11-32-22/h2-12H,13H2,1H3,(H,24,28)(H,26,29)