5-[4-(4-bromophenyl)phenyl]-1,3-oxazole; 2-sulfanylbutanoic acid

Systemtic Name: 5-[4-(4-bromophenyl)phenyl]-1,3-oxazole; 2-sulfanylbutanoic acid Openeye Name: 5-[4-(4-bromophenyl)phenyl]oxazole; 2-sulfanylbutanoic acid CAS Name: 5-[4-(4-bromophenyl)phenyl]oxazole; 2-mercaptobutanoic acid IUPAC Name: 5-[4-(4-bromophenyl)phenyl]-1,3-oxazole; 2-sulfanylbutanoic acid Traditional Name: 5-[4-(4-bromophenyl)phenyl]oxazole; 2-mercaptobutyric acid Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S.C1=CC(=CC=C1C2=CC=C(C=C2)Br)C3=CN=CO3

Isomeric SMILES

CCC(C(=O)O)S.C1=CC(=CC=C1C2=CC=C(C=C2)Br)C3=CN=CO3

InChI

InChI=1S/C15H10BrNO.C4H8O2S/c16-14-7-5-12(6-8-14)11-1-3-13(4-2-11)15-9-17-10-18-15;1-2-3(7)4(5)6/h1-10H;3,7H,2H2,1H3,(H,5,6)