4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]-N,N-diethyl-benzamide

Systemtic Name: 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]-N,N-diethyl-benzamide Openeye Name: 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]-N,N-diethyl-benzamide CAS Name: 4-[4-(1,3-benzoxazol-2-ylthio)-1-phthalazinyl]-N,N-diethylbenzamide IUPAC Name: 4-[4-(1,3-benzoxazol-2-ylsulfanyl)phthalazin-1-yl]-N,N-diethylbenzamide Traditional Name: 4-[4-(1,3-benzoxazol-2-ylthio)phthalazin-1-yl]-N,N-diethyl-benzamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O2S/c1-3-30(4-2)25(31)18-15-13-17(14-16-18)23-19-9-5-6-10-20(19)24(29-28-23)33-26-27-21-11-7-8-12-22(21)32-26/h5-16H,3-4H2,1-2H3