3-(2-azanyl-4-bromanyl-phenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-(2-azanyl-4-bromanyl-phenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-(2-amino-4-bromo-phenyl)sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[(2-amino-4-bromophenyl)thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-(2-amino-4-bromophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-[(2-amino-4-bromo-phenyl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCSC2=C(C=C(C=C2)Br)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCSC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C13H14BrN3O2S/c1-8-6-12(17-19-8)16-13(18)4-5-20-11-3-2-9(14)7-10(11)15/h2-3,6-7H,4-5,15H2,1H3,(H,16,17,18)