(2-nitro-1-phenyl-ethyl) N-ethyl-N-methyl-carbamodithioate

Systemtic Name: (2-nitro-1-phenyl-ethyl) N-ethyl-N-methyl-carbamodithioate Openeye Name: (2-nitro-1-phenyl-ethyl) N-ethyl-N-methyl-carbamodithioate CAS Name: N-ethyl-N-methylcarbamodithioic acid (2-nitro-1-phenylethyl) ester IUPAC Name: (2-nitro-1-phenylethyl) N-ethyl-N-methylcarbamodithioate Traditional Name: N-ethyl-N-methyl-carbamodithioic acid (2-nitro-1-phenyl-ethyl) ester Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S2/c1-3-13(2)12(17)18-11(9-14(15)16)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3