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

Systemtic Name: 6-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-methoxy-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-4-methoxy-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-methoxy-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-methoxy-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-4-methoxy-2-nitro-cyclohexa-2,4-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=C(C2=O)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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