N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]piazthiole-5-carboxamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C23H22N6OS/c30-23(17-8-9-20-21(15-17)28-31-27-20)24-18-7-5-6-16(14-18)19-10-11-22(26-25-19)29-12-3-1-2-4-13-29/h5-11,14-15H,1-4,12-13H2,(H,24,30)