5-isothiocyanato-2-pentyl-1,3-benzothiazole

Systemtic Name: 5-isothiocyanato-2-pentyl-1,3-benzothiazole Openeye Name: 5-isothiocyanato-2-pentyl-1,3-benzothiazole CAS Name: 5-isothiocyanato-2-pentyl-1,3-benzothiazole IUPAC Name: 5-isothiocyanato-2-pentyl-1,3-benzothiazole Traditional Name: 2-amyl-5-isothiocyanato-1,3-benzothiazole Formula: C13H14N2S2 MolecularWeight: 262.39366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(S1)C=CC(=C2)N=C=S

Isomeric SMILES

CCCCCC1=NC2=C(S1)C=CC(=C2)N=C=S

InChI

InChI=1S/C13H14N2S2/c1-2-3-4-5-13-15-11-8-10(14-9-16)6-7-12(11)17-13/h6-8H,2-5H2,1H3