2-hexoxy-6-pyridin-4-ylsulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-hexoxy-6-pyridin-4-ylsulfanyl-naphthalene-1,4-dione Openeye Name: 2-hexoxy-6-(4-pyridylsulfanyl)naphthalene-1,4-dione CAS Name: 2-hexoxy-6-(pyridin-4-ylthio)naphthalene-1,4-dione IUPAC Name: 2-hexoxy-6-pyridin-4-ylsulfanylnaphthalene-1,4-dione Traditional Name: 2-hexoxy-6-(4-pyridylthio)-1,4-naphthoquinone Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=NC=C3

Isomeric SMILES

CCCCCCOC1=CC(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=NC=C3

InChI

InChI=1S/C21H21NO3S/c1-2-3-4-5-12-25-20-14-19(23)18-13-16(6-7-17(18)21(20)24)26-15-8-10-22-11-9-15/h6-11,13-14H,2-5,12H2,1H3