azocan-1-yl-[3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]phenyl]methanone

Systemtic Name: azocan-1-yl-[3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]phenyl]methanone Openeye Name: azocan-1-yl-[3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]phenyl]methanone CAS Name: 1-azocanyl-[3-[6-(1,3-benzothiazol-6-ylamino)-3-pyridazinyl]phenyl]methanone IUPAC Name: azocan-1-yl-[3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]phenyl]methanone Traditional Name: azocan-1-yl-[3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]phenyl]methanone Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=CC=CC(=C2)C3=NN=C(C=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=CC=CC(=C2)C3=NN=C(C=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H25N5OS/c31-25(30-13-4-2-1-3-5-14-30)19-8-6-7-18(15-19)21-11-12-24(29-28-21)27-20-9-10-22-23(16-20)32-17-26-22/h6-12,15-17H,1-5,13-14H2,(H,27,29)