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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C12H12FN5O3S MolecularWeight: 325.318783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C12H12FN5O3S/c1-7-15-16-12(17(7)2)22-6-11(19)14-10-5-8(18(20)21)3-4-9(10)13/h3-5H,6H2,1-2H3,(H,14,19)