methyl 2-(3-cyano-6-methyl-4-pyridin-4-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-6-methyl-4-pyridin-4-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-methyl-4-(4-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-4-pyridin-4-yl-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-6-methyl-4-pyridin-4-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-4-(4-pyridyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=NC=C2)C#N)SCC(=O)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=NC=C2)C#N)SCC(=O)OC

InChI

InChI=1S/C15H13N3O2S/c1-10-7-12(11-3-5-17-6-4-11)13(8-16)15(18-10)21-9-14(19)20-2/h3-7H,9H2,1-2H3