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

Systemtic Name: propyl 2-[6-azanyl-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H16ClN4O2S+ MolecularWeight: 387.86324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O2S/c1-2-7-25-15(24)10-26-18-13(9-21)16(12(8-20)17(22)23-18)11-5-3-4-6-14(11)19/h3-6H,2,7,10H2,1H3,(H2,22,23)/p+1