2-azanyl-1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-[(4-fluorophenyl)methyl]-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(4-fluorobenzyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC=C(C=C4)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H17FN4O3S/c1-12-2-8-15(9-3-12)29(27,28)18-16-10-23-24-20(26)17(16)25(19(18)22)11-13-4-6-14(21)7-5-13/h2-10H,11,22H2,1H3,(H,24,26)