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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4O2S/c1-2-23-16(12-25-15-8-6-14(19)7-9-15)20-21-18(23)26-13-17(24)22-10-4-3-5-11-22/h6-9H,2-5,10-13H2,1H3