2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C17H14FN5O3S2 MolecularWeight: 419.453163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C4=CC=CS4

InChI

InChI=1S/C17H14FN5O3S2/c18-12-6-5-11(23(25)26)8-13(12)19-15(24)9-28-17-21-20-16(14-2-1-7-27-14)22(17)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H,19,24)