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

Systemtic Name: S-ethyl 4-(furan-2-ylmethylsulfanyl)-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbothioate Openeye Name: S-ethyl 4-(2-furylmethylsulfanyl)-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbothioate CAS Name: 4-(2-furanylmethylthio)-2-(4-methoxyphenyl)-6-methyl-5-pyrimidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-(furan-2-ylmethylsulfanyl)-2-(4-methoxyphenyl)-6-methylpyrimidine-5-carbothioate Traditional Name: 4-(2-furfurylthio)-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbothioic acid S-ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-4-26-20(23)17-13(2)21-18(14-7-9-15(24-3)10-8-14)22-19(17)27-12-16-6-5-11-25-16/h5-11H,4,12H2,1-3H3