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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[4-methyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[4-methyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H22N6OS2 MolecularWeight: 378.51548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C)CSC3=NC=CC=N3

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C)CSC3=NC=CC=N3

InChI

InChI=1S/C16H22N6OS2/c1-12-4-8-22(9-5-12)14(23)11-25-16-20-19-13(21(16)2)10-24-15-17-6-3-7-18-15/h3,6-7,12H,4-5,8-11H2,1-2H3