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

Systemtic Name: 4-(4-nitrophenyl)-5-[(2-phenylethanoylamino)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-nitrophenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-nitrophenyl)-5-[[(1-oxo-2-phenylethyl)amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-nitrophenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-nitrophenyl)-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C17H14N5O3S- MolecularWeight: 368.38976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O3S/c23-16(10-12-4-2-1-3-5-12)18-11-15-19-20-17(26)21(15)13-6-8-14(9-7-13)22(24)25/h1-9H,10-11H2,(H,18,23)(H,20,26)/p-1