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

Systemtic Name: methyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate CAS Name: 4-[4-(1,3-benzoxazol-2-ylthio)-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H15N3O3S MolecularWeight: 413.4485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O3S/c1-28-22(27)15-12-10-14(11-13-15)20-16-6-2-3-7-17(16)21(26-25-20)30-23-24-18-8-4-5-9-19(18)29-23/h2-13H,1H3