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

Systemtic Name: propyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]benzoate CAS Name: 4-[4-(1,3-benzoxazol-2-ylthio)-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 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 propyl ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S/c1-2-15-30-24(29)17-13-11-16(12-14-17)22-18-7-3-4-8-19(18)23(28-27-22)32-25-26-20-9-5-6-10-21(20)31-25/h3-14H,2,15H2,1H3