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

Systemtic Name: tert-butyl N-[2-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate CAS Name: N-[2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]carbamate Traditional Name: N-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]carbamic acid tert-butyl ester Formula: C9H17N5O2S MolecularWeight: 259.32858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=NNC(=S)N1N

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=NNC(=S)N1N

InChI

InChI=1S/C9H17N5O2S/c1-9(2,3)16-8(15)11-5-4-6-12-13-7(17)14(6)10/h4-5,10H2,1-3H3,(H,11,15)(H,13,17)