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

Systemtic Name: 3-[5-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C16H20N4O2S/c1-10-4-5-11(2)12(8-10)13(21)9-23-16-19-18-15(20(16)3)7-6-14(17)22/h4-5,8H,6-7,9H2,1-3H3,(H2,17,22)