2-methyl-3-propan-2-ylsulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-propan-2-ylsulfanyl-naphthalene-1,4-dione Openeye Name: 2-isopropylsulfanyl-3-methyl-naphthalene-1,4-dione CAS Name: 2-methyl-3-(propan-2-ylthio)naphthalene-1,4-dione IUPAC Name: 2-methyl-3-propan-2-ylsulfanylnaphthalene-1,4-dione Traditional Name: 2-(isopropylthio)-3-methyl-1,4-naphthoquinone Formula: C14H14O2S MolecularWeight: 246.32476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SC(C)C

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SC(C)C

InChI

InChI=1S/C14H14O2S/c1-8(2)17-14-9(3)12(15)10-6-4-5-7-11(10)13(14)16/h4-8H,1-3H3