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

Systemtic Name: (3R,5S)-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: (3R,5S)-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: (3R,5S)-5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: (3R,5S)-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: (3R,5S)-5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C18H20N4O2S3 MolecularWeight: 420.572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN1C(=NN=C1SC)[C@@H]2C[C@H](CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C18H20N4O2S3/c1-21-17(19-20-18(21)26-2)16-10-14(25)11-22(16)27(23,24)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,16,25H,10-11H2,1-2H3/t14-,16+/m1/s1