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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholinosulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-morpholinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-morpholinosulfonylphenyl)-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O5S2/c25-31(26,23-6-8-27-9-7-23)16-3-1-2-15(11-16)19-21-22-20(30)24(19)12-14-4-5-17-18(10-14)29-13-28-17/h1-5,10-11H,6-9,12-13H2,(H,22,30)