(E)-[azanyl(sulfanyl)methylidene]-[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]-methyl-azanium

Systemtic Name: (E)-[azanyl(sulfanyl)methylidene]-[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]-methyl-azanium Openeye Name: (E)-[amino(sulfanyl)methylene]-[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]-methyl-ammonium CAS Name: (E)-[amino(mercapto)methylidene]-[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]-methylammonium IUPAC Name: (E)-[amino(sulfanyl)methylidene]-[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]-methylazanium Traditional Name: (E)-[amino(mercapto)methylene]-[3-carbethoxy-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]-methyl-ammonium Formula: C18H20N5O4S+ MolecularWeight: 402.4475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)[N+](=C(N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)/[N+](=C(\N)/S)/C

InChI

InChI=1S/C18H19N5O4S/c1-4-27-17(24)15-14(11-6-5-7-12(8-11)23(25)26)13(9-19)10(2)21-16(15)22(3)18(20)28/h5-8,14H,4H2,1-3H3,(H3,20,21,24,28)/p+1