methyl 2-(5-cyano-2,6-diphenyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-cyano-2,6-diphenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(5-cyano-2,6-diphenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-cyano-2,6-diphenyl-4-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-cyano-2,6-diphenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-cyano-2,6-diphenyl-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC(=NC(=C1C#N)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H15N3O2S/c1-25-17(24)13-26-20-16(12-21)18(14-8-4-2-5-9-14)22-19(23-20)15-10-6-3-7-11-15/h2-11H,13H2,1H3