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

Systemtic Name: 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-methyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-methyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C14H18N6OS2 MolecularWeight: 350.46232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC2)CSC3=NC=CC=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC2)CSC3=NC=CC=N3

InChI

InChI=1S/C14H18N6OS2/c1-19-11(9-22-13-15-5-4-6-16-13)17-18-14(19)23-10-12(21)20-7-2-3-8-20/h4-6H,2-3,7-10H2,1H3