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

Systemtic Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N3CCCCC3

InChI

InChI=1S/C17H22N4OS/c1-13-8-4-5-9-14(13)16-18-19-17(20(16)2)23-12-15(22)21-10-6-3-7-11-21/h4-5,8-9H,3,6-7,10-12H2,1-2H3