4-(4-chloranyl-3-nitro-phenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole Openeye Name: 4-(4-chloro-3-nitro-phenyl)-2-[1-(2-pyridylmethyl)-4-piperidyl]thiazole CAS Name: 4-(4-chloro-3-nitrophenyl)-2-[1-(2-pyridinylmethyl)-4-piperidinyl]thiazole IUPAC Name: 4-(4-chloro-3-nitrophenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole Traditional Name: 4-(4-chloro-3-nitro-phenyl)-2-[1-(2-pyridylmethyl)-4-piperidyl]thiazole Formula: C20H19ClN4O2S MolecularWeight: 414.90846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=CC=N4

InChI

InChI=1S/C20H19ClN4O2S/c21-17-5-4-15(11-19(17)25(26)27)18-13-28-20(23-18)14-6-9-24(10-7-14)12-16-3-1-2-8-22-16/h1-5,8,11,13-14H,6-7,9-10,12H2