methyl N-nitro-N'-propylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-nitro-N'-propylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-1-nitro-3-propylsulfonyl-isothiourea CAS Name: N-nitro-N'-propylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-nitro-N'-propylsulfonylcarbamimidothioate Traditional Name: 2-methyl-1-nitro-3-propylsulfonyl-isothiourea Formula: C5H11N3O4S2 MolecularWeight: 241.28854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCS(=O)(=O)/N=C(\N[N+](=O)[O-])/SC

InChI

InChI=1S/C5H11N3O4S2/c1-3-4-14(11,12)7-5(13-2)6-8(9)10/h3-4H2,1-2H3,(H,6,7)