3-(3-morpholin-4-ylsulfonylphenyl)-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-morpholin-4-ylsulfonylphenyl)-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-morpholinosulfonylphenyl)-4-(1,1,3,3-tetramethylbutyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-(4-morpholinylsulfonyl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-morpholin-4-ylsulfonylphenyl)-4-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-morpholinosulfonylphenyl)-4-(1,1,3,3-tetramethylbutyl)-1H-1,2,4-triazole-5-thione Formula: C20H30N4O3S2 MolecularWeight: 438.6072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)CC(C)(C)N1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H30N4O3S2/c1-19(2,3)14-20(4,5)24-17(21-22-18(24)28)15-7-6-8-16(13-15)29(25,26)23-9-11-27-12-10-23/h6-8,13H,9-12,14H2,1-5H3,(H,22,28)