[C-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)carbonimidoyl]sulfanyl N-(6-nitro-1,3-benzodioxol-5-yl)ethanimidothioate

Systemtic Name: [C-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)carbonimidoyl]sulfanyl N-(6-nitro-1,3-benzodioxol-5-yl)ethanimidothioate Openeye Name: [C-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)carbonimidoyl]sulfanyl N-(6-nitro-1,3-benzodioxol-5-yl)ethanimidothioate CAS Name: N-(6-nitro-1,3-benzodioxol-5-yl)ethanimidothioic acid [1-[(6-nitro-1,3-benzodioxol-5-yl)imino]ethylthio] ester IUPAC Name: [C-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)carbonimidoyl]sulfanyl N-(6-nitro-1,3-benzodioxol-5-yl)ethanimidothioate Traditional Name: N-(6-nitro-1,3-benzodioxol-5-yl)thioacetimidic acid [[C-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)carbonimidoyl]thio] ester Formula: C18H14N4O8S2 MolecularWeight: 478.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC2=C(C=C1[N+](=O)[O-])OCO2)SSC(=NC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC(=NC1=CC2=C(C=C1[N+](=O)[O-])OCO2)SSC(=NC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C18H14N4O8S2/c1-9(19-11-3-15-17(29-7-27-15)5-13(11)21(23)24)31-32-10(2)20-12-4-16-18(30-8-28-16)6-14(12)22(25)26/h3-6H,7-8H2,1-2H3