5-chloranyl-2-methylsulfanyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[4-(3-pyridinylmethylthio)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[4-(3-pyridylmethylthio)phenyl]pyrimidine-4-carboxamide Formula: C18H15ClN4OS2 MolecularWeight: 402.9209

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl

InChI

InChI=1S/C18H15ClN4OS2/c1-25-18-21-10-15(19)16(23-18)17(24)22-13-4-6-14(7-5-13)26-11-12-3-2-8-20-9-12/h2-10H,11H2,1H3,(H,22,24)