1-(4-fluorophenyl)-2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-fluorophenyl)ethanone CAS Name: 1-(4-fluorophenyl)-2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-[4-benzyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-fluorophenyl)ethanone Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)C3=CC=C(C=C3)F)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)C3=CC=C(C=C3)F)COC4=CC=CC=C4

InChI

InChI=1S/C24H20FN3O2S/c25-20-13-11-19(12-14-20)22(29)16-28-24(31)27(15-18-7-3-1-4-8-18)23(26-28)17-30-21-9-5-2-6-10-21/h1-14H,15-17H2