3,3-dimethyl-1-[[4-methyl-5-(2-phenoxyethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[4-methyl-5-(2-phenoxyethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-methyl-5-(2-phenoxyethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-methyl-5-[(2-phenoxyethylthio)methyl]-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-methyl-5-(2-phenoxyethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-methyl-5-[(2-phenoxyethylthio)methyl]-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)CSCCOC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)CSCCOC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O2S2/c1-18(2,3)15(22)12-25-17-20-19-16(21(17)4)13-24-11-10-23-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3