tert-butyl N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamate CAS Name: N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate Traditional Name: N-[(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester Formula: C12H22N4O2S MolecularWeight: 286.39368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C(=NNC1=S)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C12H22N4O2S/c1-5-6-7-16-9(14-15-10(16)19)8-13-11(17)18-12(2,3)4/h5-8H2,1-4H3,(H,13,17)(H,15,19)