methyl N'-(2-methylpropanoyl)-N-nitro-carbamimidothioate

Systemtic Name: methyl N'-(2-methylpropanoyl)-N-nitro-carbamimidothioate Openeye Name: 2-methyl-N-[methylsulfanyl(nitramido)methylene]propanamide CAS Name: N'-(2-methyl-1-oxopropyl)-N-nitrocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-methylpropanoyl)-N-nitrocarbamimidothioate Traditional Name: 2-methyl-N-[(methylthio)-nitramido-methylene]propionamide Formula: C6H11N3O3S MolecularWeight: 205.23484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11N3O3S/c1-4(2)5(10)7-6(13-3)8-9(11)12/h4H,1-3H3,(H,7,8,10)