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

Systemtic Name: 2-azanyl-1-(phenylmethyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-benzyl-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-(phenylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-benzyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-benzyl-3-besyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c20-18-17(27(25,26)14-9-5-2-6-10-14)15-11-21-22-19(24)16(15)23(18)12-13-7-3-1-4-8-13/h1-11H,12,20H2,(H,22,24)