(5-azanyl-1H-benzimidazol-4-yl) thiocyanate

Systemtic Name: (5-azanyl-1H-benzimidazol-4-yl) thiocyanate Openeye Name: (5-amino-1H-benzimidazol-4-yl) thiocyanate CAS Name: thiocyanic acid (5-amino-1H-benzimidazol-4-yl) ester IUPAC Name: (5-amino-1H-benzimidazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (5-amino-1H-benzimidazol-4-yl) ester Formula: C8H6N4S MolecularWeight: 190.22504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1N)SC#N)N=CN2

Isomeric SMILES

C1=CC2=C(C(=C1N)SC#N)N=CN2

InChI

InChI=1S/C8H6N4S/c9-3-13-8-5(10)1-2-6-7(8)12-4-11-6/h1-2,4H,10H2,(H,11,12)