2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC(C2)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC[C@@H](C2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS/c1-3-22-17(15-9-5-4-6-10-15)19-20-18(22)24-13-16(23)21-11-7-8-14(2)12-21/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3/t14-/m0/s1