3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C15H17F3N4O2S MolecularWeight: 374.38129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C15H17F3N4O2S/c1-3-23-11-5-9-4-8(2)24-12(9)6-10(11)7-25-14-21-20-13(22(14)19)15(16,17)18/h5-6,8H,3-4,7,19H2,1-2H3