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

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3CC4CCCO4)C5=CC=CS5

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3CC4CCCO4)C5=CC=CS5

InChI

InChI=1S/C23H27N3O3S2/c1-3-27-19-11-16-10-15(2)29-20(16)12-17(19)14-31-23-25-24-22(21-7-5-9-30-21)26(23)13-18-6-4-8-28-18/h5,7,9,11-12,15,18H,3-4,6,8,10,13-14H2,1-2H3