2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 1-morpholino-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O4S/c27-20(25-8-10-28-11-9-25)14-31-22-24-23-21(17-4-2-1-3-5-17)26(22)13-16-6-7-18-19(12-16)30-15-29-18/h1-7,12H,8-11,13-15H2