6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-1-ium-4-yl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-1-ium-4-yl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-1-ium-4-yl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-N-phenyl-4-(4-pyridin-1-iumyl)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-1-ium-4-yl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-N-phenyl-4-pyridin-1-ium-4-yl-1,4-dihydropyridine-3-carboxamide Formula: C21H20N5O2S+ MolecularWeight: 406.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=[NH+]C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=[NH+]C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N5O2S/c1-13-18(20(28)26-15-5-3-2-4-6-15)19(14-7-9-24-10-8-14)16(11-22)21(25-13)29-12-17(23)27/h2-10,19,25H,12H2,1H3,(H2,23,27)(H,26,28)/p+1