5-isothiocyanato-2-pyridin-2-yl-1,3-benzoxazole; 6-isothiocyanato-2-pyridin-2-yl-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-pyridin-2-yl-1,3-benzoxazole; 6-isothiocyanato-2-pyridin-2-yl-1,3-benzoxazole Openeye Name: 5-isothiocyanato-2-(2-pyridyl)-1,3-benzoxazole; 6-isothiocyanato-2-(2-pyridyl)-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-(2-pyridinyl)-1,3-benzoxazole; 6-isothiocyanato-2-(2-pyridinyl)-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-pyridin-2-yl-1,3-benzoxazole; 6-isothiocyanato-2-pyridin-2-yl-1,3-benzoxazole Traditional Name: 5-isothiocyanato-2-(2-pyridyl)-1,3-benzoxazole; 6-isothiocyanato-2-(2-pyridyl)-1,3-benzoxazole Formula: C26H14N6O2S2 MolecularWeight: 506.55836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC3=C(O2)C=C(C=C3)N=C=S.C1=CC=NC(=C1)C2=NC3=C(O2)C=CC(=C3)N=C=S

Isomeric SMILES

C1=CC=NC(=C1)C2=NC3=C(O2)C=C(C=C3)N=C=S.C1=CC=NC(=C1)C2=NC3=C(O2)C=CC(=C3)N=C=S

InChI

InChI=1S/2C13H7N3OS/c18-8-15-9-4-5-10-12(7-9)17-13(16-10)11-3-1-2-6-14-11;18-8-15-9-4-5-12-11(7-9)16-13(17-12)10-3-1-2-6-14-10/h2*1-7H