butyl 2-[6-azanyl-4-(2-chlorophenyl)-3,5-dicyano-pyridin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[6-azanyl-4-(2-chlorophenyl)-3,5-dicyano-pyridin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridyl]thio]acetic acid butyl ester Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C19H17ClN4O2S/c1-2-3-8-26-16(25)11-27-19-14(10-22)17(13(9-21)18(23)24-19)12-6-4-5-7-15(12)20/h4-7H,2-3,8,11H2,1H3,(H2,23,24)