[4-(4-nitrophenyl)-3-oxidanylidene-butyl] N,N-dimethylcarbamodithioate

Systemtic Name: [4-(4-nitrophenyl)-3-oxidanylidene-butyl] N,N-dimethylcarbamodithioate Openeye Name: [4-(4-nitrophenyl)-3-oxo-butyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [4-(4-nitrophenyl)-3-oxobutyl] ester IUPAC Name: [4-(4-nitrophenyl)-3-oxobutyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [3-keto-4-(4-nitrophenyl)butyl] ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCCC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=S)SCCC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3S2/c1-14(2)13(19)20-8-7-12(16)9-10-3-5-11(6-4-10)15(17)18/h3-6H,7-9H2,1-2H3