2H-benzotriazol-5-yl-[4-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]-1-piperidyl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[4-(4-chloro-3-nitrophenyl)-2-thiazolyl]-1-piperidinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]piperidino]methanone Formula: C21H17ClN6O3S MolecularWeight: 468.91608

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-])C(=O)C4=CC5=NNN=C5C=C4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC5=NNN=C5C=C4

InChI

InChI=1S/C21H17ClN6O3S/c22-15-3-1-13(10-19(15)28(30)31)18-11-32-20(23-18)12-5-7-27(8-6-12)21(29)14-2-4-16-17(9-14)25-26-24-16/h1-4,9-12H,5-8H2,(H,24,25,26)