(1E)-1-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium

Systemtic Name: (1E)-1-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium Openeye Name: (1E)-1-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium CAS Name: (1E)-1-[5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium IUPAC Name: (1E)-1-[5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium Traditional Name: (1E)-1-[5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(C)[O-])C2=CC=CC=C2[N+](=O)[O-])C#N)S.C1COCC[NH2+]1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(/C)\[O-])C2=CC=CC=C2[N+](=O)[O-])C#N)S.C1COCC[NH2+]1

InChI

InChI=1S/C15H13N3O3S.C4H9NO/c1-8-13(9(2)19)14(11(7-16)15(22)17-8)10-5-3-4-6-12(10)18(20)21;1-3-6-4-2-5-1/h3-6,14,19,22H,1-2H3;5H,1-4H2/b13-9-;