(5-tert-butyl-1H-1,2,4-triazol-3-yl) thiocyanate

Systemtic Name: (5-tert-butyl-1H-1,2,4-triazol-3-yl) thiocyanate Openeye Name: (5-tert-butyl-1H-1,2,4-triazol-3-yl) thiocyanate CAS Name: thiocyanic acid (5-tert-butyl-1H-1,2,4-triazol-3-yl) ester IUPAC Name: (5-tert-butyl-1H-1,2,4-triazol-3-yl) thiocyanate Traditional Name: thiocyanic acid (5-tert-butyl-1H-1,2,4-triazol-3-yl) ester Formula: C7H10N4S MolecularWeight: 182.2461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SC#N

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SC#N

InChI

InChI=1S/C7H10N4S/c1-7(2,3)5-9-6(11-10-5)12-4-8/h1-3H3,(H,9,10,11)