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

Systemtic Name: 2-azanyl-1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(2-furylmethyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-(2-furanylmethyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-(2-furfuryl)-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H16N4O4S MolecularWeight: 384.40904

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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=CO4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC=CO4)N

InChI

InChI=1S/C18H16N4O4S/c1-11-4-6-13(7-5-11)27(24,25)16-14-9-20-21-18(23)15(14)22(17(16)19)10-12-3-2-8-26-12/h2-9H,10,19H2,1H3,(H,21,23)