4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-olate

Systemtic Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-olate Openeye Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(phenylcarbamothioylhydrazono)methyl]thiazol-2-olate CAS Name: 5-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-(4-tert-butyl-1-pyridin-1-iumyl)-2-thiazololate IUPAC Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-olate Traditional Name: 4-(4-tert-butylpyridin-1-ium-1-yl)-5-[(E)-(phenylthiocarbamoylhydrazono)methyl]thiazol-2-olate Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])/C=N/NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5OS2/c1-20(2,3)14-9-11-25(12-10-14)17-16(28-19(26)23-17)13-21-24-18(27)22-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2-,21,22,23,24,26,27)