[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C)C

InChI

InChI=1S/C20H26N4O3S/c1-13-9-14(2)11-23(10-13)18(25)12-27-19(26)16-5-7-17(8-6-16)24-15(3)21-22-20(24)28-4/h5-8,13-14H,9-12H2,1-4H3