3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CC3CCCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CC3CCCO3

InChI

InChI=1S/C17H21N3O4S/c1-11(21)12-5-6-15(23-2)13(8-12)10-25-17-19-18-16(22)20(17)9-14-4-3-7-24-14/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,18,22)