5-chloranyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

InChI

InChI=1S/C21H19ClN4O3S2/c1-3-13-30-21-23-14-18(22)19(25-21)20(27)24-15-9-11-17(12-10-15)31(28,29)26(2)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H,24,27)