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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C18H15FN6O3S MolecularWeight: 414.413503

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN6O3S/c19-14-4-3-13(25(27)28)9-15(14)21-16(26)10-29-18-23-22-17(24(18)12-1-2-12)11-5-7-20-8-6-11/h3-9,12H,1-2,10H2,(H,21,26)