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

Systemtic Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O3S/c18-10-4-1-7(5-9(10)17(19)20)6-13-16-11(8-2-3-8)14-15-12(16)21/h1,4-6,8,13H,2-3H2,(H,15,21)