[1-[4-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]phenyl]-2-nitro-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [1-[4-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]phenyl]-2-nitro-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [1-[4-[1-(dimethylcarbamothioylsulfanyl)-2-nitro-ethyl]phenyl]-2-nitro-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [1-[4-[1-[[dimethylamino(sulfanylidene)methyl]thio]-2-nitroethyl]phenyl]-2-nitroethyl] ester IUPAC Name: [1-[4-[1-(dimethylcarbamothioylsulfanyl)-2-nitroethyl]phenyl]-2-nitroethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [1-[4-[1-(dimethylthiocarbamoylthio)-2-nitro-ethyl]phenyl]-2-nitro-ethyl] ester Formula: C16H22N4O4S4 MolecularWeight: 462.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S4/c1-17(2)15(25)27-13(9-19(21)22)11-5-7-12(8-6-11)14(10-20(23)24)28-16(26)18(3)4/h5-8,13-14H,9-10H2,1-4H3