ethyl 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]acetic acid ethyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-4-26-17(25)11-27-20-16(10-22)18(15(9-21)19(23)24-20)14-7-5-13(6-8-14)12(2)3/h5-8,12H,4,11H2,1-3H3,(H2,23,24)