N-(4-fluoranyl-3-nitro-phenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C17H14FN5O3S2 MolecularWeight: 419.453163

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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(S2)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C17H14FN5O3S2/c1-10(15(24)19-12-7-8-13(18)14(9-12)23(25)26)27-17-22-21-16(28-17)20-11-5-3-2-4-6-11/h2-10H,1H3,(H,19,24)(H,20,21)