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

Systemtic Name: 5-chloranyl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3S2/c1-3-14-31-22-24-15-19(23)20(26-22)21(28)25-16-10-12-18(13-11-16)32(29,30)27(4-2)17-8-6-5-7-9-17/h3,5-13,15H,1,4,14H2,2H3,(H,25,28)