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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propionamide Formula: C14H16BrN5OS MolecularWeight: 382.27874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C14H16BrN5OS/c1-8(13(21)17-11-6-4-10(15)5-7-11)22-14-19-18-12(20(14)16)9-2-3-9/h4-9H,2-3,16H2,1H3,(H,17,21)