(2S)-1-thiophen-2-ylcarbonyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-thiophen-2-ylcarbonyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(thiophene-2-carbonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(thiophene-2-carbonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(2-thenoyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]pyrrolidine-2-carboxamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H21N5O2S/c26-19(17-3-1-9-25(17)20(27)18-4-2-10-28-18)22-11-15-5-7-16(8-6-15)12-24-14-21-13-23-24/h2,4-8,10,13-14,17H,1,3,9,11-12H2,(H,22,26)/t17-/m0/s1