[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3S2/c1-3-14(4-2)13(19)20-9-12(16)10-5-7-11(8-6-10)15(17)18/h5-8H,3-4,9H2,1-2H3