methyl N-cyano-N'-(3-methylimidazol-4-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3-methylimidazol-4-yl)carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(3-methylimidazol-4-yl)isothiourea CAS Name: N-cyano-N'-(3-methyl-4-imidazolyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3-methylimidazol-4-yl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(3-methylimidazol-4-yl)isothiourea Formula: C7H9N5S MolecularWeight: 195.24486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1N=C(NC#N)SC

Isomeric SMILES

CN1C=NC=C1/N=C(\NC#N)/SC

InChI

InChI=1S/C7H9N5S/c1-12-5-9-3-6(12)11-7(13-2)10-4-8/h3,5H,1-2H3,(H,10,11)