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

Systemtic Name: 5-[[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(4-morpholinosulfonylbenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(4-morpholinosulfonylbenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C20H19N6O6S2- MolecularWeight: 503.53146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])[S-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])[S-]

InChI

InChI=1S/C20H20N6O6S2/c27-19(14-1-7-17(8-2-14)34(30,31)24-9-11-32-12-10-24)21-13-18-22-23-20(33)25(18)15-3-5-16(6-4-15)26(28)29/h1-8H,9-13H2,(H,21,27)(H,23,33)/p-1