2-fluoranyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2-fluoranyl-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-fluoro-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-fluoro-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-fluoro-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-fluoro-N-[[4-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C16H12FN5O3S MolecularWeight: 373.361583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C16H12FN5O3S/c17-13-4-2-1-3-12(13)15(23)18-9-14-19-20-16(26)21(14)10-5-7-11(8-6-10)22(24)25/h1-8H,9H2,(H,18,23)(H,20,26)