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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-1-butyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-methyl-4-nitro-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-methyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-1-butyl-6-methyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3S/c1-3-4-9-23-14-12(16(24(26)27)21-22(2)18(14)25)13(15(23)19)17-20-10-7-5-6-8-11(10)28-17/h5-8H,3-4,9,19H2,1-2H3