5-methyl-1-[2-[1-methylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-[2-[1-methylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-[2-(1-methylsulfonyl-4-tritylsulfanyl-pyrrolidin-2-yl)ethyl]triazole-4-carboxylic acid CAS Name: 5-methyl-1-[2-[1-methylsulfonyl-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]ethyl]-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-[2-(1-methylsulfonyl-4-tritylsulfanylpyrrolidin-2-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[1-mesyl-4-(tritylthio)pyrrolidin-2-yl]ethyl]-5-methyl-triazole-4-carboxylic acid Formula: C30H32N4O4S2 MolecularWeight: 576.72948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CCC2CC(CN2S(=O)(=O)C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(N=NN1CCC2CC(CN2S(=O)(=O)C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H32N4O4S2/c1-22-28(29(35)36)31-32-33(22)19-18-26-20-27(21-34(26)40(2,37)38)39-30(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,26-27H,18-21H2,1-2H3,(H,35,36)