ethyl 2-(5-cyano-2-methylsulfanyl-6-naphthalen-2-yl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(5-cyano-2-methylsulfanyl-6-naphthalen-2-yl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: ethyl 2-[5-cyano-2-methylsulfanyl-6-(2-naphthyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-cyano-2-(methylthio)-6-(2-naphthalenyl)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-cyano-2-methylsulfanyl-6-naphthalen-2-ylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[[5-cyano-2-(methylthio)-6-(2-naphthyl)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1C#N)C2=CC3=CC=CC=C3C=C2)SC

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1C#N)C2=CC3=CC=CC=C3C=C2)SC

InChI

InChI=1S/C20H17N3O2S2/c1-3-25-17(24)12-27-19-16(11-21)18(22-20(23-19)26-2)15-9-8-13-6-4-5-7-14(13)10-15/h4-10H,3,12H2,1-2H3