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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN4OS/c1-8(2)15-11(19)7-20-13-16-12(17-18-13)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18)