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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C19H25ClN4O2S MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C19H25ClN4O2S/c1-3-24-17(12-26-15-7-8-16(20)14(2)11-15)21-22-19(24)27-13-18(25)23-9-5-4-6-10-23/h7-8,11H,3-6,9-10,12-13H2,1-2H3