2-azanyl-3-(1,3-benzothiazol-2-yl)-6-methyl-4-nitro-1-(phenylmethyl)pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-6-methyl-4-nitro-1-(phenylmethyl)pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-benzyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-6-methyl-4-nitro-1-(phenylmethyl)-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-benzyl-6-methyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-benzyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C21H16N6O3S MolecularWeight: 432.45514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=C(N2CC3=CC=CC=C3)N)C4=NC5=CC=CC=C5S4)C(=N1)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C(=C(N2CC3=CC=CC=C3)N)C4=NC5=CC=CC=C5S4)C(=N1)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O3S/c1-25-21(28)17-15(19(24-25)27(29)30)16(20-23-13-9-5-6-10-14(13)31-20)18(22)26(17)11-12-7-3-2-4-8-12/h2-10H,11,22H2,1H3