5-isothiocyanato-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-benzoxazole; 6-isothiocyanato-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-benzoxazole; 6-isothiocyanato-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-benzoxazole Openeye Name: 5-isothiocyanato-2-(6-morpholino-3-pyridyl)-1,3-benzoxazole; 6-isothiocyanato-2-(6-morpholino-3-pyridyl)-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-[6-(4-morpholinyl)-3-pyridinyl]-1,3-benzoxazole; 6-isothiocyanato-2-[6-(4-morpholinyl)-3-pyridinyl]-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-benzoxazole; 6-isothiocyanato-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-benzoxazole Traditional Name: 5-isothiocyanato-2-(6-morpholino-3-pyridyl)-1,3-benzoxazole; 6-isothiocyanato-2-(6-morpholino-3-pyridyl)-1,3-benzoxazole Formula: C34H28N8O4S2 MolecularWeight: 676.76732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)N=C=S.C1COCCN1C2=NC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)N=C=S

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)N=C=S.C1COCCN1C2=NC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)N=C=S

InChI

InChI=1S/2C17H14N4O2S/c24-11-19-13-2-3-15-14(9-13)20-17(23-15)12-1-4-16(18-10-12)21-5-7-22-8-6-21;24-11-19-13-2-3-14-15(9-13)23-17(20-14)12-1-4-16(18-10-12)21-5-7-22-8-6-21/h2*1-4,9-10H,5-8H2