3-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3CCCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NNC(=O)N2CC3CCCO3)C

InChI

InChI=1S/C17H21N3O3S/c1-11-5-6-14(12(2)8-11)15(21)10-24-17-19-18-16(22)20(17)9-13-4-3-7-23-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,18,22)