6-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[4-(5-nitrothiophene-2-carbonyl)piperazino]-2H-1,2,4-triazine-3,5-quinone Formula: C12H12N6O5S MolecularWeight: 352.32588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NNC(=O)NC2=O)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NNC(=O)NC2=O)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O5S/c19-10-9(14-15-12(21)13-10)16-3-5-17(6-4-16)11(20)7-1-2-8(24-7)18(22)23/h1-2H,3-6H2,(H2,13,15,19,21)