methyl N-cyano-N'-(1H-imidazol-5-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(1H-imidazol-5-yl)carbamimidothioate Openeye Name: 1-cyano-3-(1H-imidazol-5-yl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(1H-imidazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(1H-imidazol-5-yl)carbamimidothioate Traditional Name: 1-cyano-3-(1H-imidazol-5-yl)-2-methyl-isothiourea Formula: C6H7N5S MolecularWeight: 181.21828

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CN=CN1)NC#N

Isomeric SMILES

CS/C(=N\C1=CN=CN1)/NC#N

InChI

InChI=1S/C6H7N5S/c1-12-6(9-3-7)11-5-2-8-4-10-5/h2,4H,1H3,(H,8,10)(H,9,11)