3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C21H18FN3O2S/c1-14-17(10-11-27-14)20-23-24-21(25(20)16-6-4-3-5-7-16)28-13-15-8-9-19(26-2)18(22)12-15/h3-12H,13H2,1-2H3