3-[5-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonylthiophen-2-yl]-4-methyl-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[5-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonylthiophen-2-yl]-4-methyl-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-[5-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2-thienyl]-4-methyl-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)sulfonyl]-2-thiophenyl]-4-methyl-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]-4-methyl-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-[5-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2-thienyl]-4-methyl-5-(methylthio)-1,2,4-triazole Formula: C13H14BrN5O2S3 MolecularWeight: 448.38156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(S2)C3=NN=C(N3C)SC)C)Br

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(S2)C3=NN=C(N3C)SC)C)Br

InChI

InChI=1S/C13H14BrN5O2S3/c1-7-11(14)8(2)19(17-7)24(20,21)10-6-5-9(23-10)12-15-16-13(22-4)18(12)3/h5-6H,1-4H3