5-isothiocyanato-2-pyrimidin-2-yl-1,3-benzothiazole

Systemtic Name: 5-isothiocyanato-2-pyrimidin-2-yl-1,3-benzothiazole Openeye Name: 5-isothiocyanato-2-pyrimidin-2-yl-1,3-benzothiazole CAS Name: 5-isothiocyanato-2-(2-pyrimidinyl)-1,3-benzothiazole IUPAC Name: 5-isothiocyanato-2-pyrimidin-2-yl-1,3-benzothiazole Traditional Name: 5-isothiocyanato-2-(2-pyrimidyl)-1,3-benzothiazole Formula: C12H6N4S2 MolecularWeight: 270.33284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C2=NC3=C(S2)C=CC(=C3)N=C=S

Isomeric SMILES

C1=CN=C(N=C1)C2=NC3=C(S2)C=CC(=C3)N=C=S

InChI

InChI=1S/C12H6N4S2/c17-7-15-8-2-3-10-9(6-8)16-12(18-10)11-13-4-1-5-14-11/h1-6H