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

Systemtic Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate Openeye Name: 5-[(E)-(carbamothioylhydrazono)methyl]-4-isoquinolin-2-ium-2-yl-thiazol-2-olate CAS Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-(2-isoquinolin-2-iumyl)-2-thiazololate IUPAC Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate Traditional Name: 4-isoquinolin-2-ium-2-yl-5-[(E)-(thiocarbamoylhydrazono)methyl]thiazol-2-olate Formula: C14H11N5OS2 MolecularWeight: 329.40004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5OS2/c15-13(21)18-16-7-11-12(17-14(20)22-11)19-6-5-9-3-1-2-4-10(9)8-19/h1-8H,(H3-,15,16,17,18,20,21)