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

Systemtic Name: N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[2-[(4-cyanophenyl)methylthio]phenyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-[(4-cyanobenzyl)thio]phenyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H19N3O2S/c1-17-23(24(28-30-17)20-7-3-2-4-8-20)25(29)27-21-9-5-6-10-22(21)31-16-19-13-11-18(15-26)12-14-19/h2-14H,16H2,1H3,(H,27,29)