1-dibenzofuran-2-yl-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-dibenzofuran-2-yl-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-1-dibenzofuran-2-yl-ethanone CAS Name: 1-(2-dibenzofuranyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-dibenzofuran-2-ylethanone Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-1-dibenzofuran-2-yl-ethanone Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c1-2-14-29-25(15-18-8-4-3-5-9-18)27-28-26(29)32-17-22(30)19-12-13-24-21(16-19)20-10-6-7-11-23(20)31-24/h2-13,16H,1,14-15,17H2