(2R)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenyl-pyrrolidine-1-carboxamide

Systemtic Name: (2R)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenyl-pyrrolidine-1-carboxamide Openeye Name: (2R)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenyl-pyrrolidine-1-carboxamide CAS Name: (2R)-2-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]-N,N-diphenyl-1-pyrrolidinecarboxamide IUPAC Name: (2R)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N,N-diphenylpyrrolidine-1-carboxamide Traditional Name: (2R)-2-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]-N,N-diphenyl-pyrrolidine-1-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)C2CCCN2C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SC)[C@H]2CCCN2C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-3-25-20(23-24-21(25)29-2)19-15-10-16-26(19)22(28)27(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19H,3,10,15-16H2,1-2H3/t19-/m1/s1