phenyl 2-(2-azanyl-5-cyano-phenyl)-2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: phenyl 2-(2-azanyl-5-cyano-phenyl)-2-(phenylmethylsulfanyl)ethanoate Openeye Name: phenyl 2-(2-amino-5-cyano-phenyl)-2-benzylsulfanyl-acetate CAS Name: 2-(2-amino-5-cyanophenyl)-2-(phenylmethylthio)acetic acid phenyl ester IUPAC Name: phenyl 2-(2-amino-5-cyanophenyl)-2-benzylsulfanylacetate Traditional Name: 2-(2-amino-5-cyano-phenyl)-2-(benzylthio)acetic acid phenyl ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C2=C(C=CC(=C2)C#N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(C2=C(C=CC(=C2)C#N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O2S/c23-14-17-11-12-20(24)19(13-17)21(27-15-16-7-3-1-4-8-16)22(25)26-18-9-5-2-6-10-18/h1-13,21H,15,24H2