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

Systemtic Name: 4-isoquinolin-2-ium-2-yl-5-[(Z)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate Openeye Name: 4-isoquinolin-2-ium-2-yl-5-[(Z)-(pyridine-3-carbonylhydrazono)methyl]thiazol-2-olate CAS Name: 4-(2-isoquinolin-2-iumyl)-5-[(Z)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]-2-thiazololate IUPAC Name: 4-isoquinolin-2-ium-2-yl-5-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate Traditional Name: 4-isoquinolin-2-ium-2-yl-5-[(Z)-(nicotinoylhydrazono)methyl]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=CN=CC=C4

Isomeric SMILES

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

InChI

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