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

Systemtic Name: 1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-benzylsulfanyl-3-(2-furyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-(benzylthio)-3-(2-furyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-2-14(20)19-16(22-11-12-7-4-3-5-8-12)17-15(18-19)13-9-6-10-21-13/h3-10H,2,11H2,1H3