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

Systemtic Name: 3-cyclopropyl-5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-cyclopropyl-5-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-cyclopropyl-5-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C23H25N3O2S MolecularWeight: 407.5285

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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)C5CC5

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H25N3O2S/c1-3-27-20-12-17-11-15(2)28-21(17)13-18(20)14-29-23-25-24-22(16-9-10-16)26(23)19-7-5-4-6-8-19/h4-8,12-13,15-16H,3,9-11,14H2,1-2H3