4-methylmorpholine; 4-(2-nitrophenyl)-2-oxidanylidene-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-methylmorpholine; 4-(2-nitrophenyl)-2-oxidanylidene-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-methylmorpholine; 4-(2-nitrophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 6-mercapto-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile; 4-methylmorpholine IUPAC Name: 4-methylmorpholine; 4-(2-nitrophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 2-keto-6-mercapto-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile; 4-methylmorpholine Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOCC1.C1C(C(=C(NC1=O)S)C#N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN1CCOCC1.C1C(C(=C(NC1=O)S)C#N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3S.C5H11NO/c13-6-9-8(5-11(16)14-12(9)19)7-3-1-2-4-10(7)15(17)18;1-6-2-4-7-5-3-6/h1-4,8,19H,5H2,(H,14,16);2-5H2,1H3