methyl 4-(2-azanyl-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoate; 4-methylmorpholin-4-ium

Systemtic Name: methyl 4-(2-azanyl-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoate; 4-methylmorpholin-4-ium Openeye Name: methyl 4-(2-amino-3,5-dicyano-6-thioxo-1H-pyridin-4-yl)benzoate; 4-methylmorpholin-4-ium CAS Name: 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoic acid methyl ester; 4-methylmorpholin-4-ium IUPAC Name: methyl 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoate; 4-methylmorpholin-4-ium Traditional Name: 4-(2-amino-3,5-dicyano-6-thioxo-1H-pyridin-4-yl)benzoic acid methyl ester; 4-methylmorpholin-4-ium Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.COC(=O)C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N

Isomeric SMILES

C[NH+]1CCOCC1.COC(=O)C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N

InChI

InChI=1S/C15H10N4O2S.C5H11NO/c1-21-15(20)9-4-2-8(3-5-9)12-10(6-16)13(18)19-14(22)11(12)7-17;1-6-2-4-7-5-3-6/h2-5H,1H3,(H3,18,19,22);2-5H2,1H3/p+1