4-(1-benzofuran-2-yl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

Systemtic Name: 4-(1-benzofuran-2-yl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Openeye Name: 4-(benzofuran-2-yl)-3-(3-imidazol-1-ylpropyl)-N-(3-pyridyl)thiazol-2-imine CAS Name: 4-(2-benzofuranyl)-3-[3-(1-imidazolyl)propyl]-N-(3-pyridinyl)-2-thiazolimine IUPAC Name: 4-(1-benzofuran-2-yl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine Traditional Name: [4-(benzofuran-2-yl)-3-(3-imidazol-1-ylpropyl)-4-thiazolin-2-ylidene]-(3-pyridyl)amine Formula: C22H19N5OS MolecularWeight: 401.48416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=CSC(=NC4=CN=CC=C4)N3CCCN5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=CSC(=NC4=CN=CC=C4)N3CCCN5C=CN=C5

InChI

InChI=1S/C22H19N5OS/c1-2-7-20-17(5-1)13-21(28-20)19-15-29-22(25-18-6-3-8-23-14-18)27(19)11-4-10-26-12-9-24-16-26/h1-3,5-9,12-16H,4,10-11H2