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

Systemtic Name: (E)-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-phenylazanyl-methanolate; morpholin-4-ium Openeye Name: (E)-anilino-[5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium CAS Name: (E)-anilino-[5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium IUPAC Name: (E)-anilino-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)methanolate; morpholin-4-ium Traditional Name: (E)-anilino-[5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]methanolate; morpholin-4-ium Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(NC2=CC=CC=C2)[O-])C3=CN=CC=C3)C#N)S.C1COCC[NH2+]1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(/NC2=CC=CC=C2)\[O-])C3=CN=CC=C3)C#N)S.C1COCC[NH2+]1

InChI

InChI=1S/C19H16N4OS.C4H9NO/c1-12-16(18(24)23-14-7-3-2-4-8-14)17(13-6-5-9-21-11-13)15(10-20)19(25)22-12;1-3-6-4-2-5-1/h2-9,11,17,23-25H,1H3;5H,1-4H2/b18-16-;