N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O2S/c1-12(19(27)24-21(28)23-15-10-11-15)29-20-17-5-3-2-4-16(17)18(25-26-20)13-6-8-14(22)9-7-13/h2-9,12,15H,10-11H2,1H3,(H2,23,24,27,28)