4-isoquinolin-2-ium-2-yl-5-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate

Systemtic Name: 4-isoquinolin-2-ium-2-yl-5-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate Openeye Name: 4-isoquinolin-2-ium-2-yl-5-[(E)-(pyridine-4-carbonylhydrazono)methyl]thiazol-2-olate CAS Name: 4-(2-isoquinolin-2-iumyl)-5-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]-2-thiazololate IUPAC Name: 4-isoquinolin-2-ium-2-yl-5-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate Traditional Name: 5-[(E)-(isonicotinoylhydrazono)methyl]-4-isoquinolin-2-ium-2-yl-thiazol-2-olate Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=C(SC(=N3)[O-])C=NNC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C3=C(SC(=N3)[O-])/C=N/NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H13N5O2S/c25-18(14-5-8-20-9-6-14)23-21-11-16-17(22-19(26)27-16)24-10-7-13-3-1-2-4-15(13)12-24/h1-12H,(H-,20,21,22,23,25,26)