5-chloranyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[2-(p-tolylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-methylphenyl)methylthio]ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-[(4-methylbenzyl)thio]ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H18ClN3OS2 MolecularWeight: 367.91662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H18ClN3OS2/c1-11-3-5-12(6-4-11)10-23-8-7-18-15(21)14-13(17)9-19-16(20-14)22-2/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)