N-[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]piazthiole-5-carboxamide Formula: C22H15ClN4O2S MolecularWeight: 434.8981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC5=NSN=C5C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC5=NSN=C5C=C4)Cl

InChI

InChI=1S/C22H15ClN4O2S/c1-2-12-3-8-20-19(9-12)25-22(29-20)15-11-14(5-6-16(15)23)24-21(28)13-4-7-17-18(10-13)27-30-26-17/h3-11H,2H2,1H3,(H,24,28)