[3,4-bis(azanyl)-6-chloranyl-4-nitro-cyclohexa-1,5-dien-1-yl] thiocyanate

Systemtic Name: [3,4-bis(azanyl)-6-chloranyl-4-nitro-cyclohexa-1,5-dien-1-yl] thiocyanate Openeye Name: (3,4-diamino-6-chloro-4-nitro-cyclohexa-1,5-dien-1-yl) thiocyanate CAS Name: thiocyanic acid (3,4-diamino-6-chloro-4-nitro-1-cyclohexa-1,5-dienyl) ester IUPAC Name: (3,4-diamino-6-chloro-4-nitrocyclohexa-1,5-dien-1-yl) thiocyanate Traditional Name: thiocyanic acid (3,4-diamino-6-chloro-4-nitro-cyclohexa-1,5-dien-1-yl) ester Formula: C7H7ClN4O2S MolecularWeight: 246.67408

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(C1N)(N)[N+](=O)[O-])Cl)SC#N

Isomeric SMILES

C1=C(C(=CC(C1N)(N)[N+](=O)[O-])Cl)SC#N

InChI

InChI=1S/C7H7ClN4O2S/c8-4-2-7(11,12(13)14)6(10)1-5(4)15-3-9/h1-2,6H,10-11H2