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

Systemtic Name: 5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]-4-pyridin-1-ium-1-yl-1,3-thiazol-2-olate Openeye Name: 5-[(E)-(phenylcarbamothioylhydrazono)methyl]-4-pyridin-1-ium-1-yl-thiazol-2-olate CAS Name: 5-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-(1-pyridin-1-iumyl)-2-thiazololate IUPAC Name: 5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]-4-pyridin-1-ium-1-yl-1,3-thiazol-2-olate Traditional Name: 5-[(E)-(phenylthiocarbamoylhydrazono)methyl]-4-pyridin-1-ium-1-yl-thiazol-2-olate Formula: C16H13N5OS2 MolecularWeight: 355.43732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN=CC2=C(N=C(S2)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N/N=C/C2=C(N=C(S2)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C16H13N5OS2/c22-16-19-14(21-9-5-2-6-10-21)13(24-16)11-17-20-15(23)18-12-7-3-1-4-8-12/h1-11H,(H2-,17,18,19,20,22,23)