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

Systemtic Name: 1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-benzylsulfanyl-3-(2-furyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(benzylthio)-3-(2-furyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-2-7-15(21)20-17(23-12-13-8-4-3-5-9-13)18-16(19-20)14-10-6-11-22-14/h3-6,8-11H,2,7,12H2,1H3