6-azanyl-3,5-dicyano-4-(2-iodanylphenyl)-1,4-dihydropyridine-2-thiolate; 4-methylmorpholin-4-ium

Systemtic Name: 6-azanyl-3,5-dicyano-4-(2-iodanylphenyl)-1,4-dihydropyridine-2-thiolate; 4-methylmorpholin-4-ium Openeye Name: 6-amino-3,5-dicyano-4-(2-iodophenyl)-1,4-dihydropyridine-2-thiolate; 4-methylmorpholin-4-ium CAS Name: 6-amino-3,5-dicyano-4-(2-iodophenyl)-1,4-dihydropyridine-2-thiolate; 4-methylmorpholin-4-ium IUPAC Name: 6-amino-3,5-dicyano-4-(2-iodophenyl)-1,4-dihydropyridine-2-thiolate; 4-methylmorpholin-4-ium Traditional Name: 6-amino-3,5-dicyano-4-(2-iodophenyl)-1,4-dihydropyridine-2-thiolate; 4-methylmorpholin-4-ium Formula: C18H20IN5OS MolecularWeight: 481.35377

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1=CC=C(C(=C1)C2C(=C(NC(=C2C#N)[S-])N)C#N)I

Isomeric SMILES

C[NH+]1CCOCC1.C1=CC=C(C(=C1)C2C(=C(NC(=C2C#N)[S-])N)C#N)I

InChI

InChI=1S/C13H9IN4S.C5H11NO/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)18-13(19)9(11)6-16;1-6-2-4-7-5-3-6/h1-4,11,18-19H,17H2;2-5H2,1H3