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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H19N3O2S/c1-15-19(20(24-26-15)16-7-3-2-4-8-16)21(25)23-11-12-27-14-18-10-6-5-9-17(18)13-22/h2-10H,11-12,14H2,1H3,(H,23,25)