3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C=C3CC(OC3=C2)C)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C=C3CC(OC3=C2)C)OCC

InChI

InChI=1S/C17H23N3O3S/c1-4-6-20-16(21)18-19-17(20)24-10-13-9-15-12(7-11(3)23-15)8-14(13)22-5-2/h8-9,11H,4-7,10H2,1-3H3,(H,18,21)