butyl (2S,4R)-2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: butyl (2S,4R)-2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: butyl (2S,4R)-2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-mercapto-2-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-1-pyrrolidinecarboxylic acid butyl ester IUPAC Name: butyl (2S,4R)-2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-mercapto-2-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylic acid butyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CC(CC1C2=NN=C(N2C3=CC=CC=C3)SC)S

Isomeric SMILES

CCCCOC(=O)N1C[C@@H](C[C@H]1C2=NN=C(N2C3=CC=CC=C3)SC)S

InChI

InChI=1S/C18H24N4O2S2/c1-3-4-10-24-18(23)21-12-14(25)11-15(21)16-19-20-17(26-2)22(16)13-8-6-5-7-9-13/h5-9,14-15,25H,3-4,10-12H2,1-2H3/t14-,15+/m1/s1