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

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-4-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-4-(2-methoxyphenyl)-1,2,4-triazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=CN3C4=CC=CC=C4OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=CN3C4=CC=CC=C4OC

InChI

InChI=1S/C21H23N3O3S/c1-4-26-19-10-15-9-14(2)27-20(15)11-16(19)12-28-21-23-22-13-24(21)17-7-5-6-8-18(17)25-3/h5-8,10-11,13-14H,4,9,12H2,1-3H3