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

Systemtic Name: tert-butyl N-[1-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylsulfanyl-propyl]carbamate Openeye Name: tert-butyl N-[1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-3-methylsulfanyl-propyl]carbamate CAS Name: N-[1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-(methylthio)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropyl]carbamate Traditional Name: N-[1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C11H21N5O2S2 MolecularWeight: 319.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C1=NNC(=S)N1N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C1=NNC(=S)N1N

InChI

InChI=1S/C11H21N5O2S2/c1-11(2,3)18-10(17)13-7(5-6-20-4)8-14-15-9(19)16(8)12/h7H,5-6,12H2,1-4H3,(H,13,17)(H,15,19)