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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3S/c1-3-4-7-10-24-15-13(17(25(27)28)22-23(2)19(15)26)14(16(24)20)18-21-11-8-5-6-9-12(11)29-18/h5-6,8-9H,3-4,7,10,20H2,1-2H3