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

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide Formula: C16H14ClN5O3S3 MolecularWeight: 455.96206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O3S3/c1-2-26-15-19-9-12(17)13(21-15)14(23)20-10-3-5-11(6-4-10)28(24,25)22-16-18-7-8-27-16/h3-9H,2H2,1H3,(H,18,22)(H,20,23)