2-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-cyclohexyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-cyclohexyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C20H28N6OS2 MolecularWeight: 432.60592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCCC3)CSC4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCCC3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H28N6OS2/c27-18(25-12-5-2-6-13-25)15-29-20-24-23-17(14-28-19-21-10-7-11-22-19)26(20)16-8-3-1-4-9-16/h7,10-11,16H,1-6,8-9,12-15H2