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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-1-butyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-ethyl-4-nitro-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-ethyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4S3)C(=NN(C2=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4S3)C(=NN(C2=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3S/c1-3-5-10-23-15-13(17(25(27)28)22-24(4-2)19(15)26)14(16(23)20)18-21-11-8-6-7-9-12(11)29-18/h6-9H,3-5,10,20H2,1-2H3