(2R)-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-phenyl-pyrrolidine-1-carboxamide

Systemtic Name: (2R)-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-phenyl-pyrrolidine-1-carboxamide Openeye Name: (2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-phenyl-pyrrolidine-1-carboxamide CAS Name: (2R)-2-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-N-phenyl-1-pyrrolidinecarboxamide IUPAC Name: (2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-phenylpyrrolidine-1-carboxamide Traditional Name: (2R)-2-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-pyrrolidine-1-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN3C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN3C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-25-19(23-24-21(25)28-15-16-9-4-2-5-10-16)18-13-8-14-26(18)20(27)22-17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3,(H,22,27)/t18-/m1/s1