2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methyl-benzyl]acetamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H22N4O3S/c1-16-11-12-17(24-19-7-3-4-8-20(19)25(32)30(2)29-24)13-18(16)14-27-23(31)15-34-26-28-21-9-5-6-10-22(21)33-26/h3-13H,14-15H2,1-2H3,(H,27,31)