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

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C13H14BrN5OS MolecularWeight: 368.25216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CC1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C13H14BrN5OS/c14-9-3-1-2-8(6-9)12-17-18-13(19(12)15)21-7-11(20)16-10-4-5-10/h1-3,6,10H,4-5,7,15H2,(H,16,20)