(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl) thiocyanate

Systemtic Name: (2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl) thiocyanate Openeye Name: (2-amino-5-tert-butyl-1,3-benzothiazol-6-yl) thiocyanate CAS Name: thiocyanic acid (2-amino-5-tert-butyl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-amino-5-tert-butyl-1,3-benzothiazol-6-yl) thiocyanate Traditional Name: thiocyanic acid (2-amino-5-tert-butyl-1,3-benzothiazol-6-yl) ester Formula: C12H13N3S2 MolecularWeight: 263.38172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1SC#N)SC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1SC#N)SC(=N2)N

InChI

InChI=1S/C12H13N3S2/c1-12(2,3)7-4-8-10(17-11(14)15-8)5-9(7)16-6-13/h4-5H,1-3H3,(H2,14,15)