3-cyano-6-phenyl-4-pyridin-3-yl-pyridine-2-thiolate; piperidin-1-ium

Systemtic Name: 3-cyano-6-phenyl-4-pyridin-3-yl-pyridine-2-thiolate; piperidin-1-ium Openeye Name: 3-cyano-6-phenyl-4-(3-pyridyl)pyridine-2-thiolate; piperidin-1-ium CAS Name: 3-cyano-6-phenyl-4-(3-pyridinyl)-2-pyridinethiolate; piperidin-1-ium IUPAC Name: 3-cyano-6-phenyl-4-pyridin-3-ylpyridine-2-thiolate; piperidin-1-ium Traditional Name: 3-cyano-6-phenyl-4-(3-pyridyl)pyridine-2-thiolate; piperidin-1-ium Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN=CC=C3)C#N)[S-]

Isomeric SMILES

C1CC[NH2+]CC1.C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN=CC=C3)C#N)[S-]

InChI

InChI=1S/C17H11N3S.C5H11N/c18-10-15-14(13-7-4-8-19-11-13)9-16(20-17(15)21)12-5-2-1-3-6-12;1-2-4-6-5-3-1/h1-9,11H,(H,20,21);6H,1-5H2