2-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]indene-1,3-dione

Systemtic Name: 2-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]indene-1,3-dione Openeye Name: 2-[[5-nitro-2-(2-pyridylsulfanyl)phenyl]methylene]indane-1,3-dione CAS Name: 2-[[5-nitro-2-(2-pyridinylthio)phenyl]methylidene]indene-1,3-dione IUPAC Name: 2-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]indene-1,3-dione Traditional Name: 2-[5-nitro-2-(2-pyridylthio)benzylidene]indane-1,3-quinone Formula: C21H12N2O4S MolecularWeight: 388.39598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=N4)C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=N4)C2=O

InChI

InChI=1S/C21H12N2O4S/c24-20-15-5-1-2-6-16(15)21(25)17(20)12-13-11-14(23(26)27)8-9-18(13)28-19-7-3-4-10-22-19/h1-12H