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

Systemtic Name: (3R,5S)-5-[5-(cyclopropylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: (3R,5S)-5-[5-(cyclopropylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: (3R,5S)-5-[5-(cyclopropylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: (3R,5S)-5-[5-(cyclopropylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: (3R,5S)-5-[5-(cyclopropylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C26H26N4O2S3 MolecularWeight: 522.70524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CSC2=NN=C(N2C3=CC=CC=C3)C4CC(CN4S(=O)(=O)C5=CC6=CC=CC=C6C=C5)S

Isomeric SMILES

C1CC1CSC2=NN=C(N2C3=CC=CC=C3)[C@@H]4C[C@H](CN4S(=O)(=O)C5=CC6=CC=CC=C6C=C5)S

InChI

InChI=1S/C26H26N4O2S3/c31-35(32,23-13-12-19-6-4-5-7-20(19)14-23)29-16-22(33)15-24(29)25-27-28-26(34-17-18-10-11-18)30(25)21-8-2-1-3-9-21/h1-9,12-14,18,22,24,33H,10-11,15-17H2/t22-,24+/m1/s1