S-phenacyl N-pyridin-1-ium-1-ylcarbamothioate

Systemtic Name: S-phenacyl N-pyridin-1-ium-1-ylcarbamothioate Openeye Name: S-phenacyl N-pyridin-1-ium-1-ylcarbamothioate CAS Name: N-(1-pyridin-1-iumyl)carbamothioic acid S-phenacyl ester IUPAC Name: S-phenacyl N-pyridin-1-ium-1-ylcarbamothioate Traditional Name: N-pyridin-1-ium-1-ylthiocarbamic acid S-phenacyl ester Formula: C14H13N2O2S+ MolecularWeight: 273.33022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC(=O)N[N+]2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC(=O)N[N+]2=CC=CC=C2

InChI

InChI=1S/C14H12N2O2S/c17-13(12-7-3-1-4-8-12)11-19-14(18)15-16-9-5-2-6-10-16/h1-10H,11H2/p+1