N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-phenyl-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-phenyl-2-isoxazoline-5-carboxamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=CC=C2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1C(ON=C1C2=CC=CC=C2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H19N3O2S/c21-13-16-8-4-5-9-17(16)14-26-11-10-22-20(24)19-12-18(23-25-19)15-6-2-1-3-7-15/h1-9,19H,10-12,14H2,(H,22,24)