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

Systemtic Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-(4-propylphenyl)sulfonyl-pyrrolidine-3-thiol Openeye Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-(4-propylphenyl)sulfonyl-pyrrolidine-3-thiol CAS Name: (3R,5S)-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(4-propylphenyl)sulfonyl-3-pyrrolidinethiol IUPAC Name: (3R,5S)-5-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-(4-propylphenyl)sulfonylpyrrolidine-3-thiol Traditional Name: (3R,5S)-5-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(4-propylphenyl)sulfonyl-pyrrolidine-3-thiol Formula: C22H26N4O2S3 MolecularWeight: 474.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C3=NN=C(N3C4=CC=CC=C4)SC)S

Isomeric SMILES

CCCC1=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/C22H26N4O2S3/c1-3-7-16-10-12-19(13-11-16)31(27,28)25-15-18(29)14-20(25)21-23-24-22(30-2)26(21)17-8-5-4-6-9-17/h4-6,8-13,18,20,29H,3,7,14-15H2,1-2H3/t18-,20+/m1/s1