4-butyl-3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C20H22FN3S MolecularWeight: 355.472183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CCCCN1C(=NNC1=S)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C20H22FN3S/c1-3-4-12-24-19(22-23-20(24)25)14(2)16-10-11-17(18(21)13-16)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,25)