5-isothiocyanato-2-pyridin-4-yl-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-pyridin-4-yl-1,3-benzoxazole Openeye Name: 5-isothiocyanato-2-(4-pyridyl)-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-pyridin-4-yl-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-pyridin-4-yl-1,3-benzoxazole Traditional Name: 5-isothiocyanato-2-(4-pyridyl)-1,3-benzoxazole Formula: C13H7N3OS MolecularWeight: 253.27918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N=C=S)N=C(O2)C3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1N=C=S)N=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C13H7N3OS/c18-8-15-10-1-2-12-11(7-10)16-13(17-12)9-3-5-14-6-4-9/h1-7H