1-(1H-indol-3-yl)-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-2-12-26-21(15-31(28,29)16-8-4-3-5-9-16)24-25-22(26)30-14-20(27)18-13-23-19-11-7-6-10-17(18)19/h2-11,13,23H,1,12,14-15H2