(Z)-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-ethoxy-methanolate; piperidin-1-ium

Systemtic Name: (Z)-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-ethoxy-methanolate; piperidin-1-ium Openeye Name: (Z)-[5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate; piperidin-1-ium CAS Name: (Z)-[5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-4H-pyridin-3-ylidene]-ethoxymethanolate; piperidin-1-ium IUPAC Name: (Z)-(5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-4H-pyridin-3-ylidene)-ethoxymethanolate; piperidin-1-ium Traditional Name: (Z)-[5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-4H-pyridin-3-ylidene]-ethoxy-methanolate; piperidin-1-ium Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(=C(N=C1C)S)C#N)C2=CN=CC=C2)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CCO/C(=C\1/C(C(=C(N=C1C)S)C#N)C2=CN=CC=C2)/[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C15H15N3O2S.C5H11N/c1-3-20-15(19)12-9(2)18-14(21)11(7-16)13(12)10-5-4-6-17-8-10;1-2-4-6-5-3-1/h4-6,8,13,19,21H,3H2,1-2H3;6H,1-5H2/b15-12+;