(3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol

Systemtic Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: (3R,5S)-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: (3R,5S)-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C23H22N4O2S3 MolecularWeight: 482.64138

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=CC=C2)C3CC(CN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

Isomeric SMILES

CSC1=NN=C(N1C2=CC=CC=C2)[C@@H]3C[C@H](CN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S

InChI

InChI=1S/C23H22N4O2S3/c1-31-23-25-24-22(27(23)18-9-3-2-4-10-18)21-14-19(30)15-26(21)32(28,29)20-12-11-16-7-5-6-8-17(16)13-20/h2-13,19,21,30H,14-15H2,1H3/t19-,21+/m1/s1