(2-chloranyl-4-nitro-phenyl) (1Z)-N-[carbonofluoridoyl(methyl)amino]sulfanyl-2-methyl-propanimidothioate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) (1Z)-N-[carbonofluoridoyl(methyl)amino]sulfanyl-2-methyl-propanimidothioate Openeye Name: (2-chloro-4-nitro-phenyl) (1Z)-N-[fluorocarbonyl(methyl)amino]sulfanyl-2-methyl-propanimidothioate CAS Name: (1Z)-N-[[carbonofluoridoyl(methyl)amino]thio]-2-methylpropanimidothioic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) (1Z)-N-[carbonofluoridoyl(methyl)amino]sulfanyl-2-methylpropanimidothioate Traditional Name: (1Z)-N-[[fluorocarbonyl(methyl)amino]thio]-2-methyl-thiopropionimidic acid (2-chloro-4-nitro-phenyl) ester Formula: C12H13ClFN3O3S2 MolecularWeight: 365.831323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=NSN(C)C(=O)F)SC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)/C(=N/SN(C)C(=O)F)/SC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClFN3O3S2/c1-7(2)11(15-22-16(3)12(14)18)21-10-5-4-8(17(19)20)6-9(10)13/h4-7H,1-3H3/b15-11-