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

Systemtic Name: (2-tert-butyl-1,3-dihydro-1,2,4-triazol-5-yl) thiocyanate Openeye Name: (2-tert-butyl-1,3-dihydro-1,2,4-triazol-5-yl) thiocyanate CAS Name: thiocyanic acid (2-tert-butyl-1,3-dihydro-1,2,4-triazol-5-yl) ester IUPAC Name: (2-tert-butyl-1,3-dihydro-1,2,4-triazol-5-yl) thiocyanate Traditional Name: thiocyanic acid (2-tert-butyl-1,3-dihydro-1,2,4-triazol-5-yl) ester Formula: C7H12N4S MolecularWeight: 184.26198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CN=C(N1)SC#N

Isomeric SMILES

CC(C)(C)N1CN=C(N1)SC#N

InChI

InChI=1S/C7H12N4S/c1-7(2,3)11-5-9-6(10-11)12-4-8/h5H2,1-3H3,(H,9,10)