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

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3C4=CC=CC=C4)C

InChI

InChI=1S/C21H23N3O2S/c1-4-25-19-11-16-10-14(2)26-20(16)12-17(19)13-27-21-23-22-15(3)24(21)18-8-6-5-7-9-18/h5-9,11-12,14H,4,10,13H2,1-3H3