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

Systemtic Name: tert-butyl N-[5-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]carbamate Openeye Name: tert-butyl N-[5-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]carbamate CAS Name: N-[5-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]carbamate Traditional Name: N-[5-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]carbamic acid tert-butyl ester Formula: C12H23N5O2S MolecularWeight: 301.40832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC1=NNC(=S)N1N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC1=NNC(=S)N1N

InChI

InChI=1S/C12H23N5O2S/c1-12(2,3)19-11(18)14-8-6-4-5-7-9-15-16-10(20)17(9)13/h4-8,13H2,1-3H3,(H,14,18)(H,16,20)