4-(4-bromophenyl)-2-(3-methylphenyl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(3-methylphenyl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(m-tolylsulfanyl)-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-[(3-methylphenyl)thio]-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(3-methylphenyl)sulfanyl-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-4-keto-2-(m-tolylthio)butyric acid Formula: C17H15BrO3S MolecularWeight: 379.2682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)SC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H15BrO3S/c1-11-3-2-4-14(9-11)22-16(17(20)21)10-15(19)12-5-7-13(18)8-6-12/h2-9,16H,10H2,1H3,(H,20,21)