2-methyl-3-(phenylmethylsulfanyl)naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-(phenylmethylsulfanyl)naphthalene-1,4-dione Openeye Name: 2-benzylsulfanyl-3-methyl-naphthalene-1,4-dione CAS Name: 2-methyl-3-(phenylmethylthio)naphthalene-1,4-dione IUPAC Name: 2-benzylsulfanyl-3-methylnaphthalene-1,4-dione Traditional Name: 2-(benzylthio)-3-methyl-1,4-naphthoquinone Formula: C18H14O2S MolecularWeight: 294.36756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H14O2S/c1-12-16(19)14-9-5-6-10-15(14)17(20)18(12)21-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3