ethyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate CAS Name: 4-[4-(1,3-benzoxazol-2-ylthio)-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(1,3-benzoxazol-2-ylthio)phthalazin-1-yl]benzoic acid ethyl ester Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H17N3O3S/c1-2-29-23(28)16-13-11-15(12-14-16)21-17-7-3-4-8-18(17)22(27-26-21)31-24-25-19-9-5-6-10-20(19)30-24/h3-14H,2H2,1H3