2-[4-[3-(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanoate

Systemtic Name: 2-[4-[3-(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanoate Openeye Name: 2-[4-[3-(4-bromo-2,5-dimethyl-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetate CAS Name: 2-[4-[3-(4-bromo-2,5-dimethyl-3-pyrazolyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]acetate IUPAC Name: 2-[4-[3-(4-bromo-2,5-dimethylpyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]acetate Traditional Name: 2-[4-[3-(4-bromo-2,5-dimethyl-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetate Formula: C15H13BrN5O2S- MolecularWeight: 407.26502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C2=NNC(=S)N2C3=CC=C(C=C3)CC(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Br)C2=NNC(=S)N2C3=CC=C(C=C3)CC(=O)[O-])C

InChI

InChI=1S/C15H14BrN5O2S/c1-8-12(16)13(20(2)19-8)14-17-18-15(24)21(14)10-5-3-9(4-6-10)7-11(22)23/h3-6H,7H2,1-2H3,(H,18,24)(H,22,23)/p-1