4-[[[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(2-furanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C13H9N5O4S MolecularWeight: 331.30666

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O4S/c19-10-4-3-8(6-9(10)18(20)21)7-14-17-12(15-16-13(17)23)11-2-1-5-22-11/h1-7,14H,(H,16,23)