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

Systemtic Name: (3R,5S)-1-(4-methylphenyl)sulfonyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyrrolidine-3-thiol Openeye Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-(p-tolylsulfonyl)pyrrolidine-3-thiol CAS Name: (3R,5S)-1-(4-methylphenyl)sulfonyl-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-3-pyrrolidinethiol IUPAC Name: (3R,5S)-1-(4-methylphenyl)sulfonyl-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyrrolidine-3-thiol Traditional Name: (3R,5S)-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-tosyl-pyrrolidine-3-thiol Formula: C20H22N4O2S3 MolecularWeight: 446.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C3=NN=C(N3C4=CC=CC=C4)SC)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H]2C3=NN=C(N3C4=CC=CC=C4)SC)S

InChI

InChI=1S/C20H22N4O2S3/c1-14-8-10-17(11-9-14)29(25,26)23-13-16(27)12-18(23)19-21-22-20(28-2)24(19)15-6-4-3-5-7-15/h3-11,16,18,27H,12-13H2,1-2H3/t16-,18+/m1/s1