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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C14H18BrN5OS MolecularWeight: 384.29462

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C14H18BrN5OS/c1-3-8-17-13(21)9(2)22-14-19-18-12(20(14)16)10-6-4-5-7-11(10)15/h4-7,9H,3,8,16H2,1-2H3,(H,17,21)