1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-benzylsulfanyl-3-(2-furyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-(benzylthio)-3-(2-furyl)-1,2,4-triazol-1-yl]ethanone Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=CO2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=CO2)SCC3=CC=CC=C3

InChI

InChI=1S/C15H13N3O2S/c1-11(19)18-15(21-10-12-6-3-2-4-7-12)16-14(17-18)13-8-5-9-20-13/h2-9H,10H2,1H3