tert-butyl N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]carbonylamino]carbamate

Systemtic Name: tert-butyl N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]carbonylamino]carbamate Openeye Name: tert-butyl N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoyl]amino]carbamate CAS Name: N-[[[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)phenyl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoyl]amino]carbamate Traditional Name: N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoyl]amino]carbamic acid tert-butyl ester Formula: C14H16N6O5S MolecularWeight: 380.37904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O5S/c1-14(2,3)25-13(22)19-17-11(21)8-4-5-10(9(6-8)20(23)24)26-12-15-7-16-18-12/h4-7H,1-3H3,(H,17,21)(H,19,22)(H,15,16,18)