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

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C16H12BrFN4OS MolecularWeight: 407.260083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN4OS/c17-11-4-6-13(7-5-11)22-14(20-21-16(22)24)9-19-15(23)10-2-1-3-12(18)8-10/h1-8H,9H2,(H,19,23)(H,21,24)