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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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