4-(4-bromophenyl)-5-cyano-6-sulfanyl-3,4-dihydropyridin-2-olate; 4-methylmorpholin-4-ium

Systemtic Name: 4-(4-bromophenyl)-5-cyano-6-sulfanyl-3,4-dihydropyridin-2-olate; 4-methylmorpholin-4-ium Openeye Name: 4-(4-bromophenyl)-5-cyano-6-sulfanyl-3,4-dihydropyridin-2-olate; 4-methylmorpholin-4-ium CAS Name: 4-(4-bromophenyl)-5-cyano-6-mercapto-3,4-dihydropyridin-2-olate; 4-methylmorpholin-4-ium IUPAC Name: 4-(4-bromophenyl)-5-cyano-6-sulfanyl-3,4-dihydropyridin-2-olate; 4-methylmorpholin-4-ium Traditional Name: 4-(4-bromophenyl)-5-cyano-6-mercapto-3,4-dihydropyridin-2-olate; 4-methylmorpholin-4-ium Formula: C17H20BrN3O2S MolecularWeight: 410.3286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1C(C(=C(N=C1[O-])S)C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCOCC1.C1C(C(=C(N=C1[O-])S)C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H9BrN2OS.C5H11NO/c13-8-3-1-7(2-4-8)9-5-11(16)15-12(17)10(9)6-14;1-6-2-4-7-5-3-6/h1-4,9,17H,5H2,(H,15,16);2-5H2,1H3