S-octyl N-(1,2,3-thiadiazol-4-ylcarbonyl)carbamothioate

Systemtic Name: S-octyl N-(1,2,3-thiadiazol-4-ylcarbonyl)carbamothioate Openeye Name: S-octyl N-(thiadiazole-4-carbonyl)carbamothioate CAS Name: N-[oxo(4-thiadiazolyl)methyl]carbamothioic acid S-octyl ester IUPAC Name: S-octyl N-(thiadiazole-4-carbonyl)carbamothioate Traditional Name: N-(thiadiazole-4-carbonyl)thiocarbamic acid S-octyl ester Formula: C12H19N3O2S2 MolecularWeight: 301.42816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)NC(=O)C1=CSN=N1

Isomeric SMILES

CCCCCCCCSC(=O)NC(=O)C1=CSN=N1

InChI

InChI=1S/C12H19N3O2S2/c1-2-3-4-5-6-7-8-18-12(17)13-11(16)10-9-19-15-14-10/h9H,2-8H2,1H3,(H,13,16,17)