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

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

CC(C)(C)C1=NN=C(N1N)SCCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrN5OS/c1-15(2,3)13-19-20-14(21(13)17)23-9-8-12(22)18-11-6-4-10(16)5-7-11/h4-7H,8-9,17H2,1-3H3,(H,18,22)