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

Systemtic Name: 5-[[(3-methoxyphenyl)carbonylamino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(3-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[[(3-methoxyphenyl)-oxomethyl]amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(3-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(m-anisoylamino)methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C17H14N5O4S- MolecularWeight: 384.38916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])[S-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])[S-]

InChI

InChI=1S/C17H15N5O4S/c1-26-14-4-2-3-11(9-14)16(23)18-10-15-19-20-17(27)21(15)12-5-7-13(8-6-12)22(24)25/h2-9H,10H2,1H3,(H,18,23)(H,20,27)/p-1