2,3-dimethoxy-5-pyridin-4-ylsulfanyl-naphthalene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-pyridin-4-ylsulfanyl-naphthalene-1,4-dione Openeye Name: 2,3-dimethoxy-5-(4-pyridylsulfanyl)naphthalene-1,4-dione CAS Name: 2,3-dimethoxy-5-(pyridin-4-ylthio)naphthalene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-pyridin-4-ylsulfanylnaphthalene-1,4-dione Traditional Name: 2,3-dimethoxy-5-(4-pyridylthio)-1,4-naphthoquinone Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C1=O)C=CC=C2SC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C(=O)C2=C(C1=O)C=CC=C2SC3=CC=NC=C3)OC

InChI

InChI=1S/C17H13NO4S/c1-21-16-14(19)11-4-3-5-12(13(11)15(20)17(16)22-2)23-10-6-8-18-9-7-10/h3-9H,1-2H3