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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4OS/c1-13(17(21)25)26-19-23-22-18(15-7-9-16(20)10-8-15)24(19)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,21,25)