N-[2-[(5-bromanyl-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[(5-bromanyl-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-fluoro-benzamide CAS Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-fluorobenzamide Traditional Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-fluoro-benzamide Formula: C16H12BrFN4OS MolecularWeight: 407.260083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)Br)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NC(=N1)Br)SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H12BrFN4OS/c1-22-16(20-15(17)21-22)24-13-5-3-2-4-12(13)19-14(23)10-6-8-11(18)9-7-10/h2-9H,1H3,(H,19,23)