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

Systemtic Name: 4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C10H9N5O3S MolecularWeight: 279.27516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NNC(=S)N1NC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O3S/c1-6-12-13-10(19)14(6)11-5-7-2-3-9(16)8(4-7)15(17)18/h2-5,11H,1H3,(H,13,19)