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

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C16H9ClN4O4S MolecularWeight: 388.78506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C16H9ClN4O4S/c17-10-1-4-14-13(6-10)20-16(25-14)26-8-15(22)19-12-3-2-11(21(23)24)5-9(12)7-18/h1-6H,8H2,(H,19,22)