[4-(dimethylamino)-3-methyl-furan-2-yl]-ethyl-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanyl-ethenyl]azanium

Systemtic Name: [4-(dimethylamino)-3-methyl-furan-2-yl]-ethyl-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanyl-ethenyl]azanium Openeye Name: [4-(dimethylamino)-3-methyl-2-furyl]-ethyl-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanyl-vinyl]ammonium CAS Name: [4-(dimethylamino)-3-methyl-2-furanyl]-ethyl-[(E)-2-mercapto-1-(methylthio)-2-nitroethenyl]-methylammonium IUPAC Name: [4-(dimethylamino)-3-methylfuran-2-yl]-ethyl-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanylethenyl]azanium Traditional Name: [4-(dimethylamino)-3-methyl-2-furyl]-ethyl-[(E)-2-mercapto-1-(methylthio)-2-nitro-vinyl]-methyl-ammonium Formula: C13H22N3O3S2+ MolecularWeight: 332.46208

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C1=C(C(=CO1)N(C)C)C)C(=C([N+](=O)[O-])S)SC

Isomeric SMILES

CC[N+](C)(C1=C(C(=CO1)N(C)C)C)/C(=C(/[N+](=O)[O-])\S)/SC

InChI

InChI=1S/C13H21N3O3S2/c1-7-16(5,13(21-6)11(20)15(17)18)12-9(2)10(8-19-12)14(3)4/h8H,7H2,1-6H3/p+1/b13-11+