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

Systemtic Name: 1-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-cyclohexyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-cyclohexyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-cyclohexyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetone Formula: C16H21N5OS2 MolecularWeight: 363.50084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CCCCC2)CSC3=NC=CC=N3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CCCCC2)CSC3=NC=CC=N3

InChI

InChI=1S/C16H21N5OS2/c1-12(22)10-24-16-20-19-14(11-23-15-17-8-5-9-18-15)21(16)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3