4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-fluorophenyl)butan-1-one Formula: C18H18FN3OS2 MolecularWeight: 375.483423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C18H18FN3OS2/c1-2-22-17(16-6-4-11-24-16)20-21-18(22)25-12-3-5-15(23)13-7-9-14(19)10-8-13/h4,6-11H,2-3,5,12H2,1H3