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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-benzyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-benzyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C23H19BrN4OS MolecularWeight: 479.39216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN4OS/c24-19-13-11-18(12-14-19)22-26-27-23(28(22)15-17-7-3-1-4-8-17)30-16-21(29)25-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,25,29)