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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propionamide Formula: C15H20BrN5OS MolecularWeight: 398.3212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrN5OS/c1-3-4-5-13-19-20-15(21(13)17)23-10(2)14(22)18-12-8-6-11(16)7-9-12/h6-10H,3-5,17H2,1-2H3,(H,18,22)