3-[1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-methyl-ethyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[1-(4-bromo-3,5-dimethyl-1-pyrazolyl)propan-2-yl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-methyl-ethyl]-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H22BrN5S MolecularWeight: 420.36978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NNC2=S)C(C)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NNC2=S)C(C)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C18H22BrN5S/c1-5-14-8-6-7-9-15(14)24-17(20-21-18(24)25)11(2)10-23-13(4)16(19)12(3)22-23/h6-9,11H,5,10H2,1-4H3,(H,21,25)