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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C21H18FN3OS2 MolecularWeight: 411.515523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)F

InChI

InChI=1S/C21H18FN3OS2/c1-26-18-10-9-16(12-17(18)22)14-28-21-24-23-20(19-8-5-11-27-19)25(21)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3