3,6-bis(chloranyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(3-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(3-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide Formula: C21H11Cl2N3O2S MolecularWeight: 440.30194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H11Cl2N3O2S/c22-12-3-5-14-17(8-12)29-19(18(14)23)20(27)25-13-4-6-16-15(9-13)26-21(28-16)11-2-1-7-24-10-11/h1-10H,(H,25,27)