5-chloranyl-2-methylsulfanyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C16H12ClN5O2S3 MolecularWeight: 437.94678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H12ClN5O2S3/c1-25-14-18-7-10(17)12(19-14)13(24)20-15-21-22-16(27-15)26-8-11(23)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,20,21,24)