2-[2-azanyl-3-(phenylcarbonyl)phenyl]-2-phenylsulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(phenylcarbonyl)phenyl]-2-phenylsulfanyl-ethanenitrile Openeye Name: 2-(2-amino-3-benzoyl-phenyl)-2-phenylsulfanyl-acetonitrile CAS Name: 2-(2-amino-3-benzoylphenyl)-2-(phenylthio)acetonitrile IUPAC Name: 2-(2-amino-3-benzoylphenyl)-2-phenylsulfanylacetonitrile Traditional Name: 2-(2-amino-3-benzoyl-phenyl)-2-(phenylthio)acetonitrile Formula: C21H16N2OS MolecularWeight: 344.42954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)C(C#N)SC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)C(C#N)SC3=CC=CC=C3)N

InChI

InChI=1S/C21H16N2OS/c22-14-19(25-16-10-5-2-6-11-16)17-12-7-13-18(20(17)23)21(24)15-8-3-1-4-9-15/h1-13,19H,23H2