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

Systemtic Name: 1-morpholin-4-yl-2-[[4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[5-(besylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S2/c26-20(24-11-13-29-14-12-24)15-30-21-23-22-19(25(21)17-7-3-1-4-8-17)16-31(27,28)18-9-5-2-6-10-18/h1-10H,11-16H2