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

Systemtic Name: 4-(2-methoxyphenyl)-5-[[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-methoxyphenyl)-5-[[(4-morpholinosulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methoxyphenyl)-5-[[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methoxyphenyl)-5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-methoxyphenyl)-5-[[(4-morpholinosulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C21H22N5O5S2- MolecularWeight: 488.55988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N5O5S2/c1-30-18-5-3-2-4-17(18)26-19(23-24-21(26)32)14-22-20(27)15-6-8-16(9-7-15)33(28,29)25-10-12-31-13-11-25/h2-9H,10-14H2,1H3,(H,22,27)(H,24,32)/p-1