3-(2-azanylethylsulfanyl)-N-(2-cyanophenyl)propanamide

Systemtic Name: 3-(2-azanylethylsulfanyl)-N-(2-cyanophenyl)propanamide Openeye Name: 3-(2-aminoethylsulfanyl)-N-(2-cyanophenyl)propanamide CAS Name: 3-(2-aminoethylthio)-N-(2-cyanophenyl)propanamide IUPAC Name: 3-(2-aminoethylsulfanyl)-N-(2-cyanophenyl)propanamide Traditional Name: 3-(2-aminoethylthio)-N-(2-cyanophenyl)propionamide Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCSCCN

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCSCCN

InChI

InChI=1S/C12H15N3OS/c13-6-8-17-7-5-12(16)15-11-4-2-1-3-10(11)9-14/h1-4H,5-8,13H2,(H,15,16)