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

Systemtic Name: 2-azanyl-1-[(4-methylphenyl)methyl]-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(p-tolylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-[(4-methylphenyl)methyl]-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-[(4-methylphenyl)methyl]-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-(4-methylbenzyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-13-7-9-14(10-8-13)12-24-17-16(11-22-23-20(17)25)18(19(24)21)28(26,27)15-5-3-2-4-6-15/h2-11H,12,21H2,1H3,(H,23,25)