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

Systemtic Name: (1E)-1-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate; morpholin-4-ium Openeye Name: (1E)-1-[5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium CAS Name: (1E)-1-[5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium IUPAC Name: (1E)-1-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate; morpholin-4-ium Traditional Name: (1E)-1-[5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]ethanolate; morpholin-4-ium Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3OS.C4H9NO/c1-8-12(9(2)18)13(10-4-3-5-16-7-10)11(6-15)14(19)17-8;1-3-6-4-2-5-1/h3-5,7,13,18-19H,1-2H3;5H,1-4H2/b12-9-;