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

Systemtic Name: [azanyl-[[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylene]ammonium CAS Name: [amino-[[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[5-cyano-3-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[[3-carbethoxy-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylene]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)CSC(=[NH2+])N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)CSC(=[NH2+])N

InChI

InChI=1S/C18H19N5O4S/c1-3-27-17(24)16-14(9-28-18(20)21)22-10(2)13(8-19)15(16)11-5-4-6-12(7-11)23(25)26/h4-7,15,22H,3,9H2,1-2H3,(H3,20,21)/p+1