3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carbothioic S-acid

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carbothioic S-acid Openeye Name: 3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbothioic S-acid CAS Name: 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbothioic S-acid IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbothioic S-acid Traditional Name: 3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbothioic S-acid Formula: C11H7Cl2NO2S MolecularWeight: 288.14978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)S

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)S

InChI

InChI=1S/C11H7Cl2NO2S/c1-5-8(11(15)17)10(14-16-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,17)