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

Systemtic Name: (2R)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(phenylmethyl)pyrrolidine-1-carboxamide Openeye Name: (2R)-N-benzyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide CAS Name: (2R)-2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-N-(phenylmethyl)-1-pyrrolidinecarboxamide IUPAC Name: (2R)-N-benzyl-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide Traditional Name: (2R)-N-benzyl-2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCCN2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCCN2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-20-14(18-19-16(20)23-2)13-9-6-10-21(13)15(22)17-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,17,22)/t13-/m1/s1