5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(tert-butoxycarbonylamino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(tert-butoxycarbonylamino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C14H17N4O2S- MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NN=C(N1C2=CC=CC=C2)[S-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NN=C(N1C2=CC=CC=C2)[S-]

InChI

InChI=1S/C14H18N4O2S/c1-14(2,3)20-13(19)15-9-11-16-17-12(21)18(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,19)(H,17,21)/p-1