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

Systemtic Name: 3-methyl-4-(4-morpholin-4-yl-3-morpholin-4-ylsulfonyl-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-methyl-4-(4-morpholino-3-morpholinosulfonyl-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-methyl-4-[4-(4-morpholinyl)-3-(4-morpholinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-methyl-4-(4-morpholin-4-yl-3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-methyl-4-(4-morpholino-3-morpholinosulfonyl-phenyl)-1H-1,2,4-triazole-5-thione Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=NNC(=S)N1C2=CC(=C(C=C2)N3CCOCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C17H23N5O4S2/c1-13-18-19-17(27)22(13)14-2-3-15(20-4-8-25-9-5-20)16(12-14)28(23,24)21-6-10-26-11-7-21/h2-3,12H,4-11H2,1H3,(H,19,27)