3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C16H12FN3O3S2 MolecularWeight: 377.413183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12FN3O3S2/c17-11-6-5-10(9-13(11)20(22)23)18-15(21)7-8-24-16-19-12-3-1-2-4-14(12)25-16/h1-6,9H,7-8H2,(H,18,21)