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

Systemtic Name: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]piazthiole-5-carboxamide Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O2S/c1-2-13-6-9-20-19(10-13)24-22(28-20)15-4-3-5-16(11-15)23-21(27)14-7-8-17-18(12-14)26-29-25-17/h3-12H,2H2,1H3,(H,23,27)