methyl N-cyano-N'-(4-nitrophenyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(4-nitrophenyl)carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(4-nitrophenyl)isothiourea CAS Name: N-cyano-N'-(4-nitrophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(4-nitrophenyl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(4-nitrophenyl)isothiourea Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])NC#N

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])NC#N

InChI

InChI=1S/C9H8N4O2S/c1-16-9(11-6-10)12-7-2-4-8(5-3-7)13(14)15/h2-5H,1H3,(H,11,12)