2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(2,4-dimethylphenyl)-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(=C(C=C1)N2C=NN=C2SCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC(=O)N3CCCCC3)C

InChI

InChI=1S/C17H22N4OS/c1-13-6-7-15(14(2)10-13)21-12-18-19-17(21)23-11-16(22)20-8-4-3-5-9-20/h6-7,10,12H,3-5,8-9,11H2,1-2H3