(2-azanyl-6-butyl-1,3-benzothiazol-4-yl) thiocyanate

Systemtic Name: (2-azanyl-6-butyl-1,3-benzothiazol-4-yl) thiocyanate Openeye Name: (2-amino-6-butyl-1,3-benzothiazol-4-yl) thiocyanate CAS Name: thiocyanic acid (2-amino-6-butyl-1,3-benzothiazol-4-yl) ester IUPAC Name: (2-amino-6-butyl-1,3-benzothiazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (2-amino-6-butyl-1,3-benzothiazol-4-yl) ester Formula: C12H13N3S2 MolecularWeight: 263.38172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=C1)SC#N)N=C(S2)N

Isomeric SMILES

CCCCC1=CC2=C(C(=C1)SC#N)N=C(S2)N

InChI

InChI=1S/C12H13N3S2/c1-2-3-4-8-5-9(16-7-13)11-10(6-8)17-12(14)15-11/h5-6H,2-4H2,1H3,(H2,14,15)