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

Systemtic Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-(3-ethylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate Openeye Name: 5-[(E)-(carbamothioylhydrazono)methyl]-4-(3-ethylpyridin-1-ium-1-yl)thiazol-2-olate CAS Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-(3-ethyl-1-pyridin-1-iumyl)-2-thiazololate IUPAC Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-(3-ethylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate Traditional Name: 4-(3-ethylpyridin-1-ium-1-yl)-5-[(E)-(thiocarbamoylhydrazono)methyl]thiazol-2-olate Formula: C12H13N5OS2 MolecularWeight: 307.39452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])C=NNC(=S)N

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(SC(=N2)[O-])/C=N/NC(=S)N

InChI

InChI=1S/C12H13N5OS2/c1-2-8-4-3-5-17(7-8)10-9(20-12(18)15-10)6-14-16-11(13)19/h3-7H,2H2,1H3,(H3-,13,14,15,16,18,19)