N-(4-fluoranyl-3-nitro-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide Formula: C16H12FN3O4S MolecularWeight: 361.347583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)O2)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)O2)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12FN3O4S/c17-11-6-5-10(9-13(11)20(22)23)18-15(21)7-8-19-12-3-1-2-4-14(12)24-16(19)25/h1-6,9H,7-8H2,(H,18,21)