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

Systemtic Name: 2-azanyl-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(p-tolylmethyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(4-methylbenzyl)-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)CN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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