S-(3-cyano-6-phenyl-pyridin-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate

Systemtic Name: S-(3-cyano-6-phenyl-pyridin-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Openeye Name: S-(3-cyano-6-phenyl-2-pyridyl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbothioic acid S-(3-cyano-6-phenyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-phenylpyridin-2-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbothioate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbothioic acid S-(3-cyano-6-phenyl-2-pyridyl) ester Formula: C23H14ClN3O2S MolecularWeight: 431.89416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)SC3=C(C=CC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H14ClN3O2S/c1-14-20(21(27-29-14)17-9-5-6-10-18(17)24)23(28)30-22-16(13-25)11-12-19(26-22)15-7-3-2-4-8-15/h2-12H,1H3