N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN4OS/c1-3-13-7-5-8-14(4-2)18(13)25-17(23-24-20(25)27)12-22-19(26)15-9-6-10-16(21)11-15/h5-11H,3-4,12H2,1-2H3,(H,22,26)(H,24,27)