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

Systemtic Name: (3R,5S)-5-[5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: (3R,5S)-5-(5-isobutylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: (3R,5S)-5-[5-(2-methylpropylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: (3R,5S)-5-[5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: (3R,5S)-5-[5-(isobutylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C26H28N4O2S3 MolecularWeight: 524.72112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C26H28N4O2S3/c1-18(2)17-34-26-28-27-25(30(26)21-10-4-3-5-11-21)24-15-22(33)16-29(24)35(31,32)23-13-12-19-8-6-7-9-20(19)14-23/h3-14,18,22,24,33H,15-17H2,1-2H3/t22-,24+/m1/s1