methyl N-cyano-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Openeye Name: 1-cyano-3-(1,1-dimethylprop-2-ynyl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(2-methylbut-3-yn-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Traditional Name: 1-cyano-3-(1,1-dimethylprop-2-ynyl)-2-methyl-isothiourea Formula: C8H11N3S MolecularWeight: 181.25804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)N=C(NC#N)SC

Isomeric SMILES

CC(C)(C#C)N=C(NC#N)SC

InChI

InChI=1S/C8H11N3S/c1-5-8(2,3)11-7(12-4)10-6-9/h1H,2-4H3,(H,10,11)