S-[5-methyl-4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1,2,4-triazol-3-yl] 2-morpholin-4-yl-5-nitro-benzenecarbothioate

Systemtic Name: S-[5-methyl-4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1,2,4-triazol-3-yl] 2-morpholin-4-yl-5-nitro-benzenecarbothioate Openeye Name: S-[5-methyl-4-[(2-morpholino-5-nitro-benzoyl)amino]-1,2,4-triazol-3-yl] 2-morpholino-5-nitro-benzenecarbothioate CAS Name: 2-(4-morpholinyl)-5-nitrobenzenecarbothioic acid S-[5-methyl-4-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-methyl-4-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]-1,2,4-triazol-3-yl] 2-morpholin-4-yl-5-nitrobenzenecarbothioate Traditional Name: 2-morpholino-5-nitro-thiobenzoic acid S-[5-methyl-4-[(2-morpholino-5-nitro-benzoyl)amino]-1,2,4-triazol-3-yl] ester Formula: C25H26N8O8S MolecularWeight: 598.58774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)SC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)SC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C25H26N8O8S/c1-16-26-27-25(42-24(35)20-15-18(33(38)39)3-5-22(20)30-8-12-41-13-9-30)31(16)28-23(34)19-14-17(32(36)37)2-4-21(19)29-6-10-40-11-7-29/h2-5,14-15H,6-13H2,1H3,(H,28,34)