(6-azanyl-1-nitro-cyclohexa-2,4-dien-1-yl) thiocyanate

Systemtic Name: (6-azanyl-1-nitro-cyclohexa-2,4-dien-1-yl) thiocyanate Openeye Name: (6-amino-1-nitro-cyclohexa-2,4-dien-1-yl) thiocyanate CAS Name: thiocyanic acid (6-amino-1-nitro-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (6-amino-1-nitrocyclohexa-2,4-dien-1-yl) thiocyanate Traditional Name: thiocyanic acid (6-amino-1-nitro-cyclohexa-2,4-dien-1-yl) ester Formula: C7H7N3O2S MolecularWeight: 197.21438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7N3O2S/c8-5-13-7(10(11)12)4-2-1-3-6(7)9/h1-4,6H,9H2