N-(2-fluoranyl-5-nitro-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(2-fluoranyl-5-nitro-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-(2-fluoro-5-nitro-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-(2-fluoro-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-(2-fluoro-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide Formula: C16H12FN3O4S MolecularWeight: 361.347583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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