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

Systemtic Name: 4-(2,4-dimethylphenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2,4-dimethylphenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2,4-dimethylphenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-(2,4-dimethylphenyl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2,4-dimethylphenyl)-3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-1,2,4-triazole Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=CN3C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=CN3C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-26-20-10-17-9-16(4)27-21(17)11-18(20)12-28-22-24-23-13-25(22)19-7-6-14(2)8-15(19)3/h6-8,10-11,13,16H,5,9,12H2,1-4H3