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

Systemtic Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4OS/c1-14(19(26)22-2)27-20-24-23-18(16-8-10-17(21)11-9-16)25(20)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1