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

Systemtic Name: 5-chloranyl-2-prop-2-enylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(prop-2-enylthio)-N-[2-(4-sulfamoylphenyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-prop-2-enylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Formula: C16H17ClN4O3S2 MolecularWeight: 412.91418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H17ClN4O3S2/c1-2-9-25-16-20-10-13(17)14(21-16)15(22)19-8-7-11-3-5-12(6-4-11)26(18,23)24/h2-6,10H,1,7-9H2,(H,19,22)(H2,18,23,24)