2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-nitrophenyl)phenyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-nitrophenyl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-nitrophenyl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-nitrophenyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-nitrophenyl)phenyl]acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-nitrophenyl)phenyl]acetamide Formula: C21H14ClN3O4S MolecularWeight: 439.87156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H14ClN3O4S/c22-15-5-10-19-18(11-15)24-21(29-19)30-12-20(26)23-16-6-1-13(2-7-16)14-3-8-17(9-4-14)25(27)28/h1-11H,12H2,(H,23,26)