2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CNC3=CC=C(C=C3)C

InChI

InChI=1S/C19H27N5OS/c1-3-24-17(13-20-16-9-7-15(2)8-10-16)21-22-19(24)26-14-18(25)23-11-5-4-6-12-23/h7-10,20H,3-6,11-14H2,1-2H3