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

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-isoxazole CAS Name: 5-(4-fluorophenyl)-4-methyl-3-[[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 5-(4-fluorophenyl)-4-methyl-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3-[[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(4-fluorophenyl)-4-methyl-isoxazole Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN5OS/c1-3-11-27-20(16-5-4-10-23-12-16)24-25-21(27)29-13-18-14(2)19(28-26-18)15-6-8-17(22)9-7-15/h3-10,12H,1,11,13H2,2H3