N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-3-phenyl-propanamide

Systemtic Name: N-[2-[[5-bromanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-3-phenyl-propanamide Openeye Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-phenyl-propanamide CAS Name: N-[2-[[5-bromo-2-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-3-phenylpropanamide IUPAC Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-phenylpropanamide Traditional Name: N-[2-[(2-benzyl-5-bromo-1,2,4-triazol-3-yl)thio]phenyl]-3-phenyl-propionamide Formula: C24H21BrN4OS MolecularWeight: 493.41874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2SC3=NC(=NN3CC4=CC=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2SC3=NC(=NN3CC4=CC=CC=C4)Br

InChI

InChI=1S/C24H21BrN4OS/c25-23-27-24(29(28-23)17-19-11-5-2-6-12-19)31-21-14-8-7-13-20(21)26-22(30)16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,26,30)