4-morpholin-4-ylsulfonyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-morpholinosulfonyl-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-morpholin-4-ylsulfonyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-morpholinosulfonyl-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H20N6O6S2 MolecularWeight: 504.5394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)