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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-(2-furylmethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(2-furanylmethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4-(2-furfuryl)-5-phenyl-1,2,4-triazole Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H18FN3O2S/c1-26-19-10-9-15(12-18(19)22)14-28-21-24-23-20(16-6-3-2-4-7-16)25(21)13-17-8-5-11-27-17/h2-12H,13-14H2,1H3