N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H25N5O2S/c31-24(17-33-25-27-21-10-3-4-11-22(21)32-25)26-19-9-7-8-18(16-19)20-12-13-23(29-28-20)30-14-5-1-2-6-15-30/h3-4,7-13,16H,1-2,5-6,14-15,17H2,(H,26,31)