3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole

Systemtic Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole Openeye Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-isoxazole CAS Name: 3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-fluorophenyl)-4-methylisoxazole IUPAC Name: 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole Traditional Name: 3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-fluorophenyl)-4-methyl-isoxazole Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NOC(=C2C)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NOC(=C2C)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H19FN4OS/c1-3-26-20(16-7-5-4-6-8-16)23-24-21(26)28-13-18-14(2)19(27-25-18)15-9-11-17(22)12-10-15/h4-12H,3,13H2,1-2H3