4-(2,2-dimethoxyethyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,2-dimethoxyethyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,2-dimethoxyethyl)-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,2-dimethoxyethyl)-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,2-dimethoxyethyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,2-dimethoxyethyl)-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thiolate Formula: C16H21N4O5S2- MolecularWeight: 413.49174

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NN=C1[S-])C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC(CN1C(=NN=C1[S-])C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C16H22N4O5S2/c1-23-14(24-2)11-20-15(17-18-16(20)26)12-4-3-5-13(10-12)27(21,22)19-6-8-25-9-7-19/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,26)/p-1