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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

InChI

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