3-cyano-7-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridin-5-olate

Systemtic Name: 3-cyano-7-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridin-5-olate Openeye Name: 3-cyano-7-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridin-5-olate CAS Name: 3-cyano-7-oxo-2-[2-(1-piperidin-1-iumyl)ethylthio]-4H-thieno[3,2-b]pyridin-5-olate IUPAC Name: 3-cyano-7-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridin-5-olate Traditional Name: 3-cyano-7-keto-2-(2-piperidin-1-ium-1-ylethylthio)-4H-thieno[3,2-b]pyridin-5-olate Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C3=C(S2)C(=O)C=C(N3)[O-])C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C3=C(S2)C(=O)C=C(N3)[O-])C#N

InChI

InChI=1S/C15H17N3O2S2/c16-9-10-13-14(11(19)8-12(20)17-13)22-15(10)21-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H2,17,19,20)