[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N-prop-2-enylpyrrolidine-1-carboximidothioate hydrobromide

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N-prop-2-enylpyrrolidine-1-carboximidothioate hydrobromide Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] N-allylpyrrolidine-1-carboximidothioate hydrobromide CAS Name: N-prop-2-enyl-1-pyrrolidinecarboximidothioic acid [2-(4-nitrophenyl)-2-oxoethyl] ester hydrobromide IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] N-prop-2-enylpyrrolidine-1-carboximidothioate hydrobromide Traditional Name: N-allylpyrrolidine-1-carboximidothioic acid [2-keto-2-(4-nitrophenyl)ethyl] ester hydrobromide Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N1CCCC1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Br

Isomeric SMILES

C=CCN=C(N1CCCC1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Br

InChI

InChI=1S/C16H19N3O3S.BrH/c1-2-9-17-16(18-10-3-4-11-18)23-12-15(20)13-5-7-14(8-6-13)19(21)22;/h2,5-8H,1,3-4,9-12H2;1H