5-chloranyl-2-prop-2-enylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-prop-2-enylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(prop-2-enylthio)-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-prop-2-enylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C17H14ClN5O3S3 MolecularWeight: 467.97276

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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=CS3)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)Cl

InChI

InChI=1S/C17H14ClN5O3S3/c1-2-8-27-16-20-10-13(18)14(22-16)15(24)21-11-3-5-12(6-4-11)29(25,26)23-17-19-7-9-28-17/h2-7,9-10H,1,8H2,(H,19,23)(H,21,24)