6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 2-phenyl-6-(4-piazthiol-4-ylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=NN(C(=O)C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=NN(C(=O)C=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H20N6O3S2/c28-20-11-10-19(22-27(20)16-6-2-1-3-7-16)25-12-5-13-26(15-14-25)32(29,30)18-9-4-8-17-21(18)24-31-23-17/h1-4,6-11H,5,12-15H2