6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C11H8N4O5S MolecularWeight: 308.27002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=O)NC2=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=O)NC2=O

InChI

InChI=1S/C11H8N4O5S/c16-8(6-2-1-3-7(4-6)15(19)20)5-21-10-9(17)12-11(18)14-13-10/h1-4H,5H2,(H2,12,14,17,18)