3-[5-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)C)CCC(=O)N

InChI

InChI=1S/C17H22N4O2S/c1-4-21-16(8-7-15(18)23)19-20-17(21)24-10-14(22)13-6-5-11(2)12(3)9-13/h5-6,9H,4,7-8,10H2,1-3H3,(H2,18,23)