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

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-benzyl-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-benzyl-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-benzyl-3-tosyl-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)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

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

InChI

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