ethyl 2-[6-azanyl-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-azanyl-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-amino-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridin-1-iumyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]acetic acid ethyl ester Formula: C17H14ClN4O2S+ MolecularWeight: 373.83666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C17H13ClN4O2S/c1-2-24-14(23)9-25-17-12(8-20)15(11(7-19)16(21)22-17)10-5-3-4-6-13(10)18/h3-6H,2,9H2,1H3,(H2,21,22)/p+1