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

Systemtic Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NCC=C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4OS/c1-3-14-24-21(28)16(2)29-22-26-25-20(18-9-11-19(23)12-10-18)27(22)15-13-17-7-5-4-6-8-17/h3-12,16H,1,13-15H2,2H3,(H,24,28)/t16-/m0/s1