3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NNC(=O)N2C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NNC(=O)N2C)C

InChI

InChI=1S/C12H20N4O2S/c1-8-4-9(2)6-16(5-8)10(17)7-19-12-14-13-11(18)15(12)3/h8-9H,4-7H2,1-3H3,(H,13,18)/t8-,9-/m1/s1