2-bromanyl-3-(4-methylphenyl)sulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-bromanyl-3-(4-methylphenyl)sulfanyl-naphthalene-1,4-dione Openeye Name: 2-bromo-3-(p-tolylsulfanyl)naphthalene-1,4-dione CAS Name: 2-bromo-3-[(4-methylphenyl)thio]naphthalene-1,4-dione IUPAC Name: 2-bromo-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione Traditional Name: 2-bromo-3-(p-tolylthio)-1,4-naphthoquinone Formula: C17H11BrO2S MolecularWeight: 359.23704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C17H11BrO2S/c1-10-6-8-11(9-7-10)21-17-14(18)15(19)12-4-2-3-5-13(12)16(17)20/h2-9H,1H3