1-[5-(3,5-dimethoxy-4-methylsulfanyl-phenyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-[5-(3,5-dimethoxy-4-methylsulfanyl-phenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[5-(3,5-dimethoxy-4-methylsulfanyl-phenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[5-[3,5-dimethoxy-4-(methylthio)phenyl]-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-[5-(3,5-dimethoxy-4-methylsulfanylphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[5-[3,5-dimethoxy-4-(methylthio)phenyl]-2-pyridyl]-1,4-diazepane Formula: C19H25N3O2S MolecularWeight: 359.4857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1SC)OC)C2=CN=C(C=C2)N3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1SC)OC)C2=CN=C(C=C2)N3CCCNCC3

InChI

InChI=1S/C19H25N3O2S/c1-23-16-11-15(12-17(24-2)19(16)25-3)14-5-6-18(21-13-14)22-9-4-7-20-8-10-22/h5-6,11-13,20H,4,7-10H2,1-3H3