N-(4-fluoranyl-3-nitro-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H14FN5O3S MolecularWeight: 387.388163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H14FN5O3S/c1-11(16(24)20-12-7-8-14(18)15(9-12)23(25)26)27-17-19-10-22(21-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,24)