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

Systemtic Name: N-(4-fluoranyl-2-nitro-phenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-2-nitro-phenyl)acetamide CAS Name: N-(4-fluoro-2-nitrophenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-fluoro-2-nitrophenyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-N-(4-fluoro-2-nitro-phenyl)acetamide Formula: C13H12FN5O3S MolecularWeight: 337.329483

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12FN5O3S/c1-2-5-18-8-15-17-13(18)23-7-12(20)16-10-4-3-9(14)6-11(10)19(21)22/h2-4,6,8H,1,5,7H2,(H,16,20)