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

Systemtic Name: 2-chloranyl-6-fluoranyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-chloro-6-fluoro-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-chloro-6-fluoro-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-chloro-6-fluoro-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-chloro-6-fluoro-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C17H14ClFN4OS MolecularWeight: 376.835663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H14ClFN4OS/c1-10-4-2-5-11(8-10)23-14(21-22-17(23)25)9-20-16(24)15-12(18)6-3-7-13(15)19/h2-8H,9H2,1H3,(H,20,24)(H,22,25)