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

Systemtic Name: N-[[4-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C16H13FN4OS MolecularWeight: 328.364023

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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)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)F

InChI

InChI=1S/C16H13FN4OS/c17-12-6-8-13(9-7-12)21-14(19-20-16(21)23)10-18-15(22)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,20,23)