1-[4-[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[(3S)-3-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(3S)-3-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidino]sulfonylphenyl]ethanone Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCN1C(=NN=C1SC)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C18H24N4O3S2/c1-4-22-17(19-20-18(22)26-3)15-6-5-11-21(12-15)27(24,25)16-9-7-14(8-10-16)13(2)23/h7-10,15H,4-6,11-12H2,1-3H3/t15-/m0/s1