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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxy-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H18FN3O3S MolecularWeight: 435.470723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C23H18FN3O3S/c1-28-19-9-7-15(11-18(19)24)13-31-23-26-25-22(27(23)17-5-3-2-4-6-17)16-8-10-20-21(12-16)30-14-29-20/h2-12H,13-14H2,1H3