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

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-1-(1-phenylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(1-phenylethyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(1-phenylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-(1-phenylethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(1-phenylethyl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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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)C(C)C4=CC=CC=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-13-8-10-16(11-9-13)29(27,28)19-17-12-23-24-21(26)18(17)25(20(19)22)14(2)15-6-4-3-5-7-15/h3-12,14H,22H2,1-2H3,(H,24,26)