(4-methylsulfonyl-2-nitro-phenyl) N,N-diethylcarbamodithioate

Systemtic Name: (4-methylsulfonyl-2-nitro-phenyl) N,N-diethylcarbamodithioate Openeye Name: (4-methylsulfonyl-2-nitro-phenyl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (4-methylsulfonyl-2-nitrophenyl) ester IUPAC Name: (4-methylsulfonyl-2-nitrophenyl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (4-mesyl-2-nitro-phenyl) ester Formula: C12H16N2O4S3 MolecularWeight: 348.46144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S3/c1-4-13(5-2)12(19)20-11-7-6-9(21(3,17)18)8-10(11)14(15)16/h6-8H,4-5H2,1-3H3