5-[[(2-fluorophenyl)carbonylamino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[(2-fluorophenyl)carbonylamino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[[(2-fluorophenyl)-oxomethyl]amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C16H11FN5O3S- MolecularWeight: 372.353643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])[S-])F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])[S-])F

InChI

InChI=1S/C16H12FN5O3S/c17-13-4-2-1-3-12(13)15(23)18-9-14-19-20-16(26)21(14)10-5-7-11(8-6-10)22(24)25/h1-8H,9H2,(H,18,23)(H,20,26)/p-1