(4Z)-4-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NNC(=S)N1N/C=C\2/C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-3-10-14-15-12(22)16(10)13-6-7-4-8(17(19)20)11(18)9(5-7)21-2/h4-6,13H,3H2,1-2H3,(H,15,22)/b7-6-