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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(3-methyl-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-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-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-keto-2-(3-methylpiperidino)ethyl] ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C19H24N4O3S/c1-13-5-4-10-22(11-13)17(24)12-26-18(25)15-6-8-16(9-7-15)23-14(2)20-21-19(23)27-3/h6-9,13H,4-5,10-12H2,1-3H3