3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 3-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 3-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]-N,N-dimethyl-benzamide CAS Name: 3-[[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 3-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]-N,N-dimethylbenzamide Traditional Name: 3-[[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]amino]-N,N-dimethyl-benzamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4O2S/c1-30(2)25(32)17-6-5-7-19(14-17)27-22(31)15-33-24-21-9-4-3-8-20(21)23(28-29-24)16-10-12-18(26)13-11-16/h3-14H,15H2,1-2H3,(H,27,31)