N-(3-oxidanylpyridin-2-yl)-2-phenyl-3-thiophen-2-yl-1H-1,2,4-triazol-2-ium-5-carboxamide

Systemtic Name: N-(3-oxidanylpyridin-2-yl)-2-phenyl-3-thiophen-2-yl-1H-1,2,4-triazol-2-ium-5-carboxamide Openeye Name: N-(3-hydroxy-2-pyridyl)-2-phenyl-3-(2-thienyl)-1H-1,2,4-triazol-2-ium-5-carboxamide CAS Name: N-(3-hydroxy-2-pyridinyl)-2-phenyl-3-thiophen-2-yl-1H-1,2,4-triazol-2-ium-5-carboxamide IUPAC Name: N-(3-hydroxypyridin-2-yl)-2-phenyl-3-thiophen-2-yl-1H-1,2,4-triazol-2-ium-5-carboxamide Traditional Name: N-(3-hydroxy-2-pyridyl)-2-phenyl-3-(2-thienyl)-1H-1,2,4-triazol-2-ium-5-carboxamide Formula: C18H14N5O2S+ MolecularWeight: 364.40106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=C(N2)C(=O)NC3=C(C=CC=N3)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=C(N2)C(=O)NC3=C(C=CC=N3)O)C4=CC=CS4

InChI

InChI=1S/C18H13N5O2S/c24-13-8-4-10-19-15(13)21-18(25)16-20-17(14-9-5-11-26-14)23(22-16)12-6-2-1-3-7-12/h1-11H,(H2,19,21,22,24,25)/p+1