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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C13H13BrN4OS MolecularWeight: 353.23752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CC1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C13H13BrN4OS/c14-10-4-2-1-3-9(10)12-16-13(18-17-12)20-7-11(19)15-8-5-6-8/h1-4,8H,5-7H2,(H,15,19)(H,16,17,18)