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

Systemtic Name: tert-butyl 2-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-methyl-4-(3-pyridinyl)-2-pyridinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]thio]acetic acid tert-butyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-12-8-14(13-6-5-7-20-10-13)15(9-19)17(21-12)24-11-16(22)23-18(2,3)4/h5-8,10H,11H2,1-4H3