2-(2-azanyl-4-bromanyl-phenyl)sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-(2-azanyl-4-bromanyl-phenyl)sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-(2-amino-4-bromo-phenyl)sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[(2-amino-4-bromophenyl)thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[(2-amino-4-bromo-phenyl)thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C12H14BrN3OS MolecularWeight: 328.22806

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=C(C=C(C=C1)Br)N

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=C(C=C(C=C1)Br)N

InChI

InChI=1S/C12H14BrN3OS/c1-16(6-2-5-14)12(17)8-18-11-4-3-9(13)7-10(11)15/h3-4,7H,2,6,8,15H2,1H3