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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCC1=NN=C(N1N)SC(C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrN5OS/c1-3-4-12-18-19-14(20(12)16)22-9(2)13(21)17-11-7-5-10(15)6-8-11/h5-9H,3-4,16H2,1-2H3,(H,17,21)