4-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-fluorophenyl)methylthio]-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-fluorobenzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=C(OC=C3)C

InChI

InChI=1S/C16H16FN3OS/c1-3-20-15(14-8-9-21-11(14)2)18-19-16(20)22-10-12-4-6-13(17)7-5-12/h4-9H,3,10H2,1-2H3