1-(1H-indazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-(1H-indazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-(1H-indazol-5-yl)-2-(4-pyridylmethylsulfanyl)pyridin-1-ium-3-carboxamide CAS Name: 1-(1H-indazol-5-yl)-2-(pyridin-4-ylmethylthio)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-(1H-indazol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-(1H-indazol-5-yl)-2-(4-pyridylmethylthio)pyridin-1-ium-3-carboxamide Formula: C19H16N5OS+ MolecularWeight: 362.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([N+](=C1)C2=CC3=C(C=C2)NN=C3)SCC4=CC=NC=C4)C(=O)N

Isomeric SMILES

C1=CC(=C([N+](=C1)C2=CC3=C(C=C2)NN=C3)SCC4=CC=NC=C4)C(=O)N

InChI

InChI=1S/C19H15N5OS/c20-18(25)16-2-1-9-24(15-3-4-17-14(10-15)11-22-23-17)19(16)26-12-13-5-7-21-8-6-13/h1-11H,12H2,(H2-,20,22,23,25)/p+1