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

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-isoxazole CAS Name: 5-(4-fluorophenyl)-4-methyl-3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 5-(4-fluorophenyl)-4-methyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3-[[(4-allyl-5-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(N2CC=C)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(ON=C1CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN4OS/c1-3-13-27-21(17-7-5-4-6-8-17)24-25-22(27)29-14-19-15(2)20(28-26-19)16-9-11-18(23)12-10-16/h3-12H,1,13-14H2,2H3