methoxymethanedithioic acid; (4-nitrophenyl)methyl carbamimidothioate

Systemtic Name: methoxymethanedithioic acid; (4-nitrophenyl)methyl carbamimidothioate Openeye Name: methoxymethanedithioic acid; 2-[(4-nitrophenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-nitrophenyl)methyl ester; methoxymethanedithioic acid IUPAC Name: methoxymethanedithioic acid; (4-nitrophenyl)methyl carbamimidothioate Traditional Name: methoxymethanedithioic acid; 2-(4-nitrobenzyl)isothiourea Formula: C10H13N3O3S3 MolecularWeight: 319.42352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)S.C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

COC(=S)S.C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O2S.C2H4OS2/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;1-3-2(4)5/h1-4H,5H2,(H3,9,10);1H3,(H,4,5)