2-methylsulfanyl-5-oxidanyl-7-oxidanylidene-1-phenyl-6-(thiolan-1-ium-1-yl)-4H-pyrrolo[3,2-b]pyridine-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-5-oxidanyl-7-oxidanylidene-1-phenyl-6-(thiolan-1-ium-1-yl)-4H-pyrrolo[3,2-b]pyridine-3-carbonitrile Openeye Name: 5-hydroxy-2-methylsulfanyl-7-oxo-1-phenyl-6-tetrahydrothiophen-1-ium-1-yl-4H-pyrrolo[3,2-b]pyridine-3-carbonitrile CAS Name: 5-hydroxy-2-(methylthio)-7-oxo-1-phenyl-6-(1-thiolan-1-iumyl)-4H-pyrrolo[3,2-b]pyridine-3-carbonitrile IUPAC Name: 5-hydroxy-2-methylsulfanyl-7-oxo-1-phenyl-6-(thiolan-1-ium-1-yl)-4H-pyrrolo[3,2-b]pyridine-3-carbonitrile Traditional Name: 5-hydroxy-7-keto-2-(methylthio)-1-phenyl-6-tetrahydrothiophen-1-ium-1-yl-4H-pyrrolo[3,2-b]pyridine-3-carbonitrile Formula: C19H18N3O2S2+ MolecularWeight: 384.49512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1C3=CC=CC=C3)C(=O)C(=C(N2)O)[S+]4CCCC4)C#N

Isomeric SMILES

CSC1=C(C2=C(N1C3=CC=CC=C3)C(=O)C(=C(N2)O)[S+]4CCCC4)C#N

InChI

InChI=1S/C19H17N3O2S2/c1-25-19-13(11-20)14-15(22(19)12-7-3-2-4-8-12)16(23)17(18(24)21-14)26-9-5-6-10-26/h2-4,7-8H,5-6,9-10H2,1H3,(H-,21,23,24)/p+1