(2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide

Systemtic Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide Openeye Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide CAS Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-cyclopentylpropanamide IUPAC Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide Traditional Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-propionamide Formula: C24H27BrN4OS MolecularWeight: 499.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H27BrN4OS/c1-17(23(30)26-21-9-5-6-10-21)31-24-28-27-22(19-11-13-20(25)14-12-19)29(24)16-15-18-7-3-2-4-8-18/h2-4,7-8,11-14,17,21H,5-6,9-10,15-16H2,1H3,(H,26,30)/t17-/m0/s1