4-(3-bromanyl-4-methyl-phenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-bromanyl-4-methyl-phenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-bromo-4-methyl-phenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-bromo-4-methylphenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-bromo-4-methylphenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-bromo-4-methyl-phenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione Formula: C18H13BrFN5S MolecularWeight: 430.296723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=C(C=C4)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=C(C=C4)F)Br

InChI

InChI=1S/C18H13BrFN5S/c1-10-2-7-13(8-14(10)19)25-17(23-24-18(25)26)16-9-15(21-22-16)11-3-5-12(20)6-4-11/h2-9H,1H3,(H,21,22)(H,24,26)