2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

InChI

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