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

Systemtic Name: 5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-[(1R)-1-phenylethyl]-1,2,4-triazole-3-thiolate Formula: C15H15BrN5S- MolecularWeight: 377.2821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NN=C(N2C(C)C3=CC=CC=C3)[S-])Br

Isomeric SMILES

CC1=C(C(=NN1C)C2=NN=C(N2[C@H](C)C3=CC=CC=C3)[S-])Br

InChI

InChI=1S/C15H16BrN5S/c1-9(11-7-5-4-6-8-11)21-14(17-18-15(21)22)13-12(16)10(2)20(3)19-13/h4-9H,1-3H3,(H,18,22)/p-1/t9-/m1/s1