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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-nitro-1-pentyl-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-nitro-1-pentyl-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-nitro-1-pentyl-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-nitro-1-pentylpyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-amyl-3-(1,3-benzothiazol-2-yl)-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4S3)C(=NN(C2=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4S3)C(=NN(C2=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3S/c1-3-5-8-11-24-16-14(18(26(28)29)23-25(4-2)20(16)27)15(17(24)21)19-22-12-9-6-7-10-13(12)30-19/h6-7,9-10H,3-5,8,11,21H2,1-2H3