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

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethylthio)-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C21H16ClN5O3S3 MolecularWeight: 518.03144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)Cl

InChI

InChI=1S/C21H16ClN5O3S3/c22-17-12-24-20(32-13-14-4-2-1-3-5-14)26-18(17)19(28)25-15-6-8-16(9-7-15)33(29,30)27-21-23-10-11-31-21/h1-12H,13H2,(H,23,27)(H,25,28)