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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-ethylacetamide IUPAC Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide Traditional Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4OS/c1-2-21-17(25)13-26-19-23-22-18(15-10-6-7-11-16(15)20)24(19)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,25)