[4,5-bis(azanyl)-2-bromanyl-phenyl] thiocyanate

Systemtic Name: [4,5-bis(azanyl)-2-bromanyl-phenyl] thiocyanate Openeye Name: (4,5-diamino-2-bromo-phenyl) thiocyanate CAS Name: thiocyanic acid (4,5-diamino-2-bromophenyl) ester IUPAC Name: (4,5-diamino-2-bromophenyl) thiocyanate Traditional Name: thiocyanic acid (4,5-diamino-2-bromo-phenyl) ester Formula: C7H6BrN3S MolecularWeight: 244.11164

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1SC#N)Br)N)N

Isomeric SMILES

C1=C(C(=CC(=C1SC#N)Br)N)N

InChI

InChI=1S/C7H6BrN3S/c8-4-1-5(10)6(11)2-7(4)12-3-9/h1-2H,10-11H2