2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide Formula: C21H14ClN3O4S MolecularWeight: 439.87156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NC4=CC=CC=C4O3

InChI

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