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

Systemtic Name: methyl 2-[6-azanyl-4-(4-bromophenyl)-3,5-dicyano-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[6-amino-4-(4-bromophenyl)-3,5-dicyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-4-(4-bromophenyl)-3,5-dicyano-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-4-(4-bromophenyl)-3,5-dicyano-2-pyridyl]thio]acetic acid methyl ester Formula: C16H11BrN4O2S MolecularWeight: 403.25314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C16H11BrN4O2S/c1-23-13(22)8-24-16-12(7-19)14(11(6-18)15(20)21-16)9-2-4-10(17)5-3-9/h2-5H,8H2,1H3,(H2,20,21)