S-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-(4-methylpyridin-1-ium-1-yl)carbamothioate

Systemtic Name: S-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-(4-methylpyridin-1-ium-1-yl)carbamothioate Openeye Name: S-[2-(4-chlorophenyl)-2-oxo-ethyl] N-(4-methylpyridin-1-ium-1-yl)carbamothioate CAS Name: N-(4-methyl-1-pyridin-1-iumyl)carbamothioic acid S-[2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: S-[2-(4-chlorophenyl)-2-oxoethyl] N-(4-methylpyridin-1-ium-1-yl)carbamothioate Traditional Name: N-(4-methylpyridin-1-ium-1-yl)thiocarbamic acid S-[2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C15H14ClN2O2S+ MolecularWeight: 321.80186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)NC(=O)SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=[N+](C=C1)NC(=O)SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClN2O2S/c1-11-6-8-18(9-7-11)17-15(20)21-10-14(19)12-2-4-13(16)5-3-12/h2-9H,10H2,1H3/p+1