3-[(4,5-dimethoxy-2-morpholin-4-ylsulfonyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4,5-dimethoxy-2-morpholin-4-ylsulfonyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4,5-dimethoxy-2-morpholinosulfonyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[4,5-dimethoxy-2-(4-morpholinylsulfonyl)phenyl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4,5-dimethoxy-2-morpholin-4-ylsulfonylphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4,5-dimethoxy-2-morpholinosulfonyl-benzyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=CC=C3)S(=O)(=O)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=CC=C3)S(=O)(=O)N4CCOCC4)OC

InChI

InChI=1S/C21H24N4O5S2/c1-28-17-12-15(13-20-22-23-21(31)25(20)16-6-4-3-5-7-16)19(14-18(17)29-2)32(26,27)24-8-10-30-11-9-24/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,31)