1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine CAS Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine Traditional Name: (Z)-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylene-(3-phenyl-1,2,4-triazol-4-yl)amine Formula: C20H20N4O2 MolecularWeight: 348.3984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=NN3C=NN=C3C4=CC=CC=C4)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=N\N3C=NN=C3C4=CC=CC=C4)O[C@H](C2)C

InChI

InChI=1S/C20H20N4O2/c1-3-25-18-10-16-9-14(2)26-19(16)11-17(18)12-22-24-13-21-23-20(24)15-7-5-4-6-8-15/h4-8,10-14H,3,9H2,1-2H3/b22-12-/t14-/m0/s1