(E)-(5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-4H-pyridin-3-ylidene)-prop-2-enoxy-methanolate; morpholin-4-ium

Systemtic Name: (E)-(5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-4H-pyridin-3-ylidene)-prop-2-enoxy-methanolate; morpholin-4-ium Openeye Name: (E)-allyloxy-[5-cyano-2-methyl-4-(4-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium CAS Name: (E)-(5-cyano-6-mercapto-2-methyl-4-pyridin-4-yl-4H-pyridin-3-ylidene)-prop-2-enoxymethanolate; morpholin-4-ium IUPAC Name: (E)-(5-cyano-2-methyl-4-pyridin-4-yl-6-sulfanyl-4H-pyridin-3-ylidene)-prop-2-enoxymethanolate; morpholin-4-ium Traditional Name: (E)-allyloxy-[5-cyano-6-mercapto-2-methyl-4-(4-pyridyl)-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S.C4H9NO/c1-3-8-21-16(20)13-10(2)19-15(22)12(9-17)14(13)11-4-6-18-7-5-11;1-3-6-4-2-5-1/h3-7,14,20,22H,1,8H2,2H3;5H,1-4H2/b16-13-;