ethyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[2-phenyl-6-[(phenylthio)methyl]-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-phenyl-6-(phenylsulfanylmethyl)pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[2-phenyl-6-[(phenylthio)methyl]pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1)CSC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)CSC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S2/c1-2-25-20(24)15-27-19-13-17(14-26-18-11-7-4-8-12-18)22-21(23-19)16-9-5-3-6-10-16/h3-13H,2,14-15H2,1H3