3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2S/c1-4-26-18-10-15-9-13(2)27-19(15)11-16(18)12-28-21-24-23-20(25(21)3)14-5-7-17(22)8-6-14/h5-8,10-11,13H,4,9,12H2,1-3H3