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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c18-14-8-6-13(7-9-14)16-20-17(22-21-16)24-11-15(23)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21,22)