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

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-6-phenyl-1-(phenylmethyl)pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-benzyl-6-phenyl-3-(p-tolylsulfonyl)pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-methylphenyl)sulfonyl-6-phenyl-1-(phenylmethyl)-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-1-benzyl-3-(4-methylphenyl)sulfonyl-6-phenylpyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-benzyl-6-phenyl-3-tosyl-pyrrolo[2,3-d]pyridazin-7-one Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NN(C3=O)C4=CC=CC=C4)CC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NN(C3=O)C4=CC=CC=C4)CC5=CC=CC=C5)N

InChI

InChI=1S/C26H22N4O3S/c1-18-12-14-21(15-13-18)34(32,33)24-22-16-28-30(20-10-6-3-7-11-20)26(31)23(22)29(25(24)27)17-19-8-4-2-5-9-19/h2-16H,17,27H2,1H3