5-chloranyl-2-prop-2-enylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-prop-2-enylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(prop-2-enylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-prop-2-enylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[4-(2-pyrimidylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C18H15ClN6O3S2 MolecularWeight: 462.9331

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Cl

InChI

InChI=1S/C18H15ClN6O3S2/c1-2-10-29-18-22-11-14(19)15(24-18)16(26)23-12-4-6-13(7-5-12)30(27,28)25-17-20-8-3-9-21-17/h2-9,11H,1,10H2,(H,23,26)(H,20,21,25)