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2-(2-azanylethylsulfanyl)-N-[4-(cyanomethyl)phenyl]ethanamide

2-(2-azanylethylsulfanyl)-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name:2-(2-azanylethylsulfanyl)-N-[4-(cyanomethyl)phenyl]ethanamide
Openeye Name:2-(2-aminoethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide
CAS Name:2-(2-aminoethylthio)-N-[4-(cyanomethyl)phenyl]acetamide
IUPAC Name:2-(2-aminoethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide
Traditional Name:2-(2-aminoethylthio)-N-[4-(cyanomethyl)phenyl]acetamide
Formula: C12H15N3OS
MolecularWeight: 249.332
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSCCN


Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSCCN


InChI

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


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