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

Systemtic Name: 5-chloranyl-2-prop-2-enylsulfanyl-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(prop-2-enylthio)-N-(4-sulfamoylphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-prop-2-enylsulfanyl-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(4-sulfamoylphenyl)pyrimidine-4-carboxamide Formula: C14H13ClN4O3S2 MolecularWeight: 384.86102

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O3S2/c1-2-7-23-14-17-8-11(15)12(19-14)13(20)18-9-3-5-10(6-4-9)24(16,21)22/h2-6,8H,1,7H2,(H,18,20)(H2,16,21,22)