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

Systemtic Name: tert-butyl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetic acid tert-butyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H18N2O2S/c1-18(2,3)22-16(21)12-23-17-14(11-19)9-10-15(20-17)13-7-5-4-6-8-13/h4-10H,12H2,1-3H3