S-ethyl 2-(4-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carbothioate

Systemtic Name: S-ethyl 2-(4-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carbothioate Openeye Name: S-ethyl 2-(4-chlorophenyl)-4-(2-furylmethylsulfanyl)-6-methyl-pyrimidine-5-carbothioate CAS Name: 2-(4-chlorophenyl)-4-(2-furanylmethylthio)-6-methyl-5-pyrimidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 2-(4-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidine-5-carbothioate Traditional Name: 2-(4-chlorophenyl)-4-(2-furfurylthio)-6-methyl-pyrimidine-5-carbothioic acid S-ethyl ester Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(N=C(N=C1SCC2=CC=CO2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCSC(=O)C1=C(N=C(N=C1SCC2=CC=CO2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H17ClN2O2S2/c1-3-25-19(23)16-12(2)21-17(13-6-8-14(20)9-7-13)22-18(16)26-11-15-5-4-10-24-15/h4-10H,3,11H2,1-2H3