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

Systemtic Name: 4-bromanyl-2-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 4-bromo-2-[(Z)-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 4-bromo-2-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-bromo-2-[(Z)-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Traditional Name: 4-bromo-2-[(Z)-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C16H12BrN4O2S- MolecularWeight: 404.26108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NNC(=S)N2/N=C\C3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C16H13BrN4O2S/c17-12-6-7-14(22)11(8-12)9-18-21-15(19-20-16(21)24)10-23-13-4-2-1-3-5-13/h1-9,22H,10H2,(H,20,24)/p-1/b18-9-