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

Systemtic Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-methylsulfonyl-pyrrolidine-3-thiol Openeye Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-methylsulfonyl-pyrrolidine-3-thiol CAS Name: (3R,5S)-1-methylsulfonyl-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-3-pyrrolidinethiol IUPAC Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-methylsulfonylpyrrolidine-3-thiol Traditional Name: (3R,5S)-1-mesyl-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]pyrrolidine-3-thiol Formula: C14H18N4O2S3 MolecularWeight: 370.51332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S3/c1-22-14-16-15-13(18(14)10-6-4-3-5-7-10)12-8-11(21)9-17(12)23(2,19)20/h3-7,11-12,21H,8-9H2,1-2H3/t11-,12+/m1/s1