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

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-5-(2-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3N)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3N)C4=CC=CC=C4F

InChI

InChI=1S/C20H21FN4O2S/c1-3-26-17-9-13-8-12(2)27-18(13)10-14(17)11-28-20-24-23-19(25(20)22)15-6-4-5-7-16(15)21/h4-7,9-10,12H,3,8,11,22H2,1-2H3