1-(2-azanyl-3-sulfanyl-propanoyl)-4-phenyl-piperidine-4-carbonitrile; ethanoyl fluoride

Systemtic Name: 1-(2-azanyl-3-sulfanyl-propanoyl)-4-phenyl-piperidine-4-carbonitrile; ethanoyl fluoride Openeye Name: acetyl fluoride; 1-(2-amino-3-sulfanyl-propanoyl)-4-phenyl-piperidine-4-carbonitrile CAS Name: acetyl fluoride; 1-(2-amino-3-mercapto-1-oxopropyl)-4-phenyl-4-piperidinecarbonitrile IUPAC Name: acetyl fluoride; 1-(2-amino-3-sulfanylpropanoyl)-4-phenylpiperidine-4-carbonitrile Traditional Name: acetyl fluoride; 1-(2-amino-3-mercapto-propanoyl)-4-phenyl-isonipecotonitrile Formula: C21H28F3N3O4S MolecularWeight: 475.52493

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)C(CS)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)C(CS)N

InChI

InChI=1S/C15H19N3OS.3C2H3FO/c16-11-15(12-4-2-1-3-5-12)6-8-18(9-7-15)14(19)13(17)10-20;3*1-2(3)4/h1-5,13,20H,6-10,17H2;3*1H3