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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C18H18FN3O2S/c1-4-8-22-17(14-7-9-24-12(14)2)20-21-18(22)25-11-13-5-6-16(23-3)15(19)10-13/h4-7,9-10H,1,8,11H2,2-3H3