2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-cyclopropyl-N-p-anisyl-acetamide Formula: C20H20N5O2S+ MolecularWeight: 394.4701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C20H19N5O2S/c1-27-17-6-2-13(3-7-17)11-25(16-4-5-16)18(26)12-28-20-15(10-22)8-14(9-21)19(23)24-20/h2-3,6-8,16H,4-5,11-12H2,1H3,(H2,23,24)/p+1