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

Systemtic Name: 4-cyclopropyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H22N4O2S MolecularWeight: 310.41508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NNC(=O)N2C3CC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NNC(=O)N2C3CC3)C

InChI

InChI=1S/C14H22N4O2S/c1-9-5-10(2)7-17(6-9)12(19)8-21-14-16-15-13(20)18(14)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,15,20)/t9-,10-/m1/s1