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

Systemtic Name: 1-[4-[(3R)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[(3R)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[(3R)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(3R)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(3R)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidino]sulfonylphenyl]ethanone Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C(N3C)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C3=NN=C(N3C)SC

InChI

InChI=1S/C17H22N4O3S2/c1-12(22)13-6-8-15(9-7-13)26(23,24)21-10-4-5-14(11-21)16-18-19-17(25-3)20(16)2/h6-9,14H,4-5,10-11H2,1-3H3/t14-/m1/s1