2-[3-bromanyl-4-(4-chlorophenyl)sulfanyl-phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[3-bromanyl-4-(4-chlorophenyl)sulfanyl-phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-bromo-4-(4-chlorophenyl)sulfanyl-phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-bromo-4-[(4-chlorophenyl)thio]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-bromo-4-(4-chlorophenyl)sulfanylphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-bromo-4-[(4-chlorophenyl)thio]phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H11BrClNO2S2 MolecularWeight: 440.76174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)Br)C(=O)O

InChI

InChI=1S/C17H11BrClNO2S2/c1-9-15(17(21)22)24-16(20-9)10-2-7-14(13(18)8-10)23-12-5-3-11(19)4-6-12/h2-8H,1H3,(H,21,22)