4-bromanyl-2-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate

Systemtic Name: 4-bromanyl-2-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 4-bromo-2-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 4-bromo-2-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-bromo-2-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Traditional Name: 4-bromo-2-[[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C16H12BrN4OS- MolecularWeight: 388.26168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C16H13BrN4OS/c1-10-2-4-11(5-3-10)15-19-20-16(23)21(15)18-9-12-8-13(17)6-7-14(12)22/h2-9,22H,1H3,(H,20,23)/p-1