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

Systemtic Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NNC2=S)C3CC3)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNN2C(=NNC2=S)C3CC3)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S/c1-22-10-5-7(4-9(11(10)19)18(20)21)6-14-17-12(8-2-3-8)15-16-13(17)23/h4-6,8,14H,2-3H2,1H3,(H,16,23)