2-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole

Systemtic Name: 2-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole Openeye Name: 2-[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole CAS Name: 2-[[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]thio]-1,3-benzoxazole IUPAC Name: 2-[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]sulfanyl-1,3-benzoxazole Traditional Name: 2-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]thio]-1,3-benzoxazole Formula: C22H14N4O4S MolecularWeight: 430.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O4S/c1-29-19-11-10-13(12-17(19)26(27)28)20-14-6-2-3-7-15(14)21(25-24-20)31-22-23-16-8-4-5-9-18(16)30-22/h2-12H,1H3