2-azanyl-N-(cyanomethyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: 2-azanyl-N-(cyanomethyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 2-amino-3-benzylsulfanyl-N-(cyanomethyl)propanamide CAS Name: 2-amino-N-(cyanomethyl)-3-(phenylmethylthio)propanamide IUPAC Name: 2-amino-3-benzylsulfanyl-N-(cyanomethyl)propanamide Traditional Name: 2-amino-3-(benzylthio)-N-(cyanomethyl)propionamide Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)N

InChI

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