5-ethyl-3-oxidanylidene-2-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Systemtic Name: 5-ethyl-3-oxidanylidene-2-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 5-ethyl-3-oxo-2-phenyl-N-(2-thienylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: 5-ethyl-3-oxo-2-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: 5-ethyl-3-oxo-2-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 5-ethyl-3-keto-2-phenyl-N-(2-thenyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C20H19N4O2S+ MolecularWeight: 379.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC=CS4

Isomeric SMILES

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H18N4O2S/c1-2-23-12-16(19(25)21-11-15-9-6-10-27-15)18-17(13-23)20(26)24(22-18)14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,21,25)/p+1