3-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C16H21N3O2S/c1-5-8-19-15(21)17-18-16(19)22-12(4)14(20)13-7-6-10(2)11(3)9-13/h6-7,9,12H,5,8H2,1-4H3,(H,17,21)