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

Systemtic Name: 2-(2-azanyl-4-methyl-phenyl)sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[(2-amino-4-methylphenyl)thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-(2-amino-4-methylphenyl)sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(2-amino-4-methyl-phenyl)thio]-N-(2-cyanoethyl)acetamide Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NCCC#N)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NCCC#N)N

InChI

InChI=1S/C12H15N3OS/c1-9-3-4-11(10(14)7-9)17-8-12(16)15-6-2-5-13/h3-4,7H,2,6,8,14H2,1H3,(H,15,16)