1-[1-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]methyl]-5-methyl-1,2,3-triazol-4-yl]ethanone

Systemtic Name: 1-[1-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]methyl]-5-methyl-1,2,3-triazol-4-yl]ethanone Openeye Name: 1-[1-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]methyl]-5-methyl-triazol-4-yl]ethanone CAS Name: 1-[1-[[4-[(4-methoxyphenyl)methylthio]-1-methylsulfonyl-2-pyrrolidinyl]methyl]-5-methyl-4-triazolyl]ethanone IUPAC Name: 1-[1-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonylpyrrolidin-2-yl]methyl]-5-methyltriazol-4-yl]ethanone Traditional Name: 1-[1-[[1-mesyl-4-(p-anisylthio)pyrrolidin-2-yl]methyl]-5-methyl-triazol-4-yl]ethanone Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CC2CC(CN2S(=O)(=O)C)SCC3=CC=C(C=C3)OC)C(=O)C

Isomeric SMILES

CC1=C(N=NN1CC2CC(CN2S(=O)(=O)C)SCC3=CC=C(C=C3)OC)C(=O)C

InChI

InChI=1S/C19H26N4O4S2/c1-13-19(14(2)24)20-21-22(13)10-16-9-18(11-23(16)29(4,25)26)28-12-15-5-7-17(27-3)8-6-15/h5-8,16,18H,9-12H2,1-4H3