methyl N-cyano-N'-(2-nitrophenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(2-nitrophenyl)sulfonyl-carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(2-nitrophenyl)sulfonyl-isothiourea CAS Name: N-cyano-N'-(2-nitrophenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(2-nitrophenyl)sulfonylcarbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(2-nitrophenyl)sulfonyl-isothiourea Formula: C9H8N4O4S2 MolecularWeight: 300.31422

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NC#N

Isomeric SMILES

CS/C(=N/S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])/NC#N

InChI

InChI=1S/C9H8N4O4S2/c1-18-9(11-6-10)12-19(16,17)8-5-3-2-4-7(8)13(14)15/h2-5H,1H3,(H,11,12)