2-azanyl-1-phenethyl-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-phenethyl-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-phenethyl-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-phenethyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-phenethyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-phenethyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=NNC3=O)C(=C2N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c21-19-18(28(26,27)15-9-5-2-6-10-15)16-13-22-23-20(25)17(16)24(19)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12,21H2,(H,23,25)