2-[(Z)-[3-(phenoxymethyl)-5-sulfanidyl-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 2-[(Z)-[3-(phenoxymethyl)-5-sulfanidyl-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 2-[(Z)-[3-(phenoxymethyl)-5-sulfido-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 2-[(Z)-[3-(phenoxymethyl)-5-sulfido-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 2-[(Z)-[3-(phenoxymethyl)-5-sulfido-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 2-[(Z)-[3-(phenoxymethyl)-5-sulfido-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C17H12N4O3S-2 MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2N=CC3=CC=CC=C3C(=O)[O-])[S-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2/N=C\C3=CC=CC=C3C(=O)[O-])[S-]

InChI

InChI=1S/C17H14N4O3S/c22-16(23)14-9-5-4-6-12(14)10-18-21-15(19-20-17(21)25)11-24-13-7-2-1-3-8-13/h1-10H,11H2,(H,20,25)(H,22,23)/p-2/b18-10-