3-chloranyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide Formula: C21H12ClN3O2S MolecularWeight: 405.85688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=NC=C5)Cl

InChI

InChI=1S/C21H12ClN3O2S/c22-18-14-3-1-2-4-17(14)28-19(18)20(26)24-13-5-6-16-15(11-13)25-21(27-16)12-7-9-23-10-8-12/h1-11H,(H,24,26)