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

Systemtic Name: 2-[2-[[2-azanyl-3-(phenylcarbonyl)phenyl]methylsulfanyl]phenyl]ethanenitrile Openeye Name: 2-[2-[(2-amino-3-benzoyl-phenyl)methylsulfanyl]phenyl]acetonitrile CAS Name: 2-[2-[(2-amino-3-benzoylphenyl)methylthio]phenyl]acetonitrile IUPAC Name: 2-[2-[(2-amino-3-benzoylphenyl)methylsulfanyl]phenyl]acetonitrile Traditional Name: 2-[2-[(2-amino-3-benzoyl-benzyl)thio]phenyl]acetonitrile Formula: C22H18N2OS MolecularWeight: 358.45612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CSC3=CC=CC=C3CC#N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CSC3=CC=CC=C3CC#N)N

InChI

InChI=1S/C22H18N2OS/c23-14-13-16-7-4-5-12-20(16)26-15-18-10-6-11-19(21(18)24)22(25)17-8-2-1-3-9-17/h1-12H,13,15,24H2