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

Systemtic Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4O2S/c1-14-7-6-8-15(11-14)24-12-16-19-20-18(21(16)2)25-13-17(23)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10,12-13H2,1-2H3