1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-methyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-methyl-triazole-4-carboxylic acid CAS Name: 1-[[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-methylsulfonylmethyl]-5-methyl-4-triazolecarboxylic acid IUPAC Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonylmethyl]-5-methyltriazole-4-carboxylic acid Traditional Name: 1-[mesyl-[4-(p-anisylthio)pyrrolidin-2-yl]methyl]-5-methyl-triazole-4-carboxylic acid Formula: C18H24N4O5S2 MolecularWeight: 440.53696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C(C2CC(CN2)SCC3=CC=C(C=C3)OC)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C(C2CC(CN2)SCC3=CC=C(C=C3)OC)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C18H24N4O5S2/c1-11-16(18(23)24)20-21-22(11)17(29(3,25)26)15-8-14(9-19-15)28-10-12-4-6-13(27-2)7-5-12/h4-7,14-15,17,19H,8-10H2,1-3H3,(H,23,24)