2-bromanyl-6-methoxy-4-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate

Systemtic Name: 2-bromanyl-6-methoxy-4-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 2-bromo-6-methoxy-4-[(Z)-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 2-bromo-6-methoxy-4-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 2-bromo-6-methoxy-4-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Traditional Name: 2-bromo-6-methoxy-4-[(Z)-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C17H14BrN4O3S- MolecularWeight: 434.28706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3)Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N\N2C(=NNC2=S)COC3=CC=CC=C3)Br)[O-]

InChI

InChI=1S/C17H15BrN4O3S/c1-24-14-8-11(7-13(18)16(14)23)9-19-22-15(20-21-17(22)26)10-25-12-5-3-2-4-6-12/h2-9,23H,10H2,1H3,(H,21,26)/p-1/b19-9-