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

Systemtic Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole Openeye Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-isoxazole CAS Name: 3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-fluorophenyl)-4-methylisoxazole IUPAC Name: 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole Traditional Name: 3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-fluorophenyl)-4-methyl-isoxazole Formula: C22H19FN4OS MolecularWeight: 406.475863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(ON=C1CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H19FN4OS/c1-14-19(26-28-20(14)15-9-11-17(23)12-10-15)13-29-22-25-24-21(16-7-8-16)27(22)18-5-3-2-4-6-18/h2-6,9-12,16H,7-8,13H2,1H3