5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C16H17BrN5OS- MolecularWeight: 407.30808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC2=NN=C(N2C3=CC=CC=C3OC)[S-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC2=NN=C(N2C3=CC=CC=C3OC)[S-])C)Br

InChI

InChI=1S/C16H18BrN5OS/c1-10-15(17)11(2)21(20-10)9-8-14-18-19-16(24)22(14)12-6-4-5-7-13(12)23-3/h4-7H,8-9H2,1-3H3,(H,19,24)/p-1