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

Systemtic Name: 4-(2-methylpropyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-isobutyl-3-(3-morpholinosulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylpropyl)-3-[3-(4-morpholinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methylpropyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-isobutyl-3-(3-morpholinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NNC1=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H22N4O3S2/c1-12(2)11-20-15(17-18-16(20)24)13-4-3-5-14(10-13)25(21,22)19-6-8-23-9-7-19/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,24)