N-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-methyl-N-[(3-methyl-2-thienyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-methyl-N-[(3-methyl-2-thiophenyl)methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-keto-3-methyl-N-[(3-methyl-2-thienyl)methyl]phthalazine-1-carboxamide Formula: C22H17ClFN3O2S MolecularWeight: 441.905683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C2=CC(=C(C=C2)F)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(SC=C1)CN(C2=CC(=C(C=C2)F)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H17ClFN3O2S/c1-13-9-10-30-19(13)12-27(14-7-8-18(24)17(23)11-14)22(29)20-15-5-3-4-6-16(15)21(28)26(2)25-20/h3-11H,12H2,1-2H3