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

Systemtic Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate Openeye Name: 5-[(E)-(carbamothioylhydrazono)methyl]-4-(4-isopropylpyridin-1-ium-1-yl)thiazol-2-olate CAS Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-(4-propan-2-yl-1-pyridin-1-iumyl)-2-thiazololate IUPAC Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate Traditional Name: 4-(4-isopropylpyridin-1-ium-1-yl)-5-[(E)-(thiocarbamoylhydrazono)methyl]thiazol-2-olate Formula: C13H15N5OS2 MolecularWeight: 321.4211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5OS2/c1-8(2)9-3-5-18(6-4-9)11-10(21-13(19)16-11)7-15-17-12(14)20/h3-8H,1-2H3,(H3-,14,15,16,17,19,20)