(4-hydroxyphenyl) 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate

Systemtic Name: (4-hydroxyphenyl) 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate Openeye Name: (4-hydroxyphenyl) 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]propanoic acid (4-hydroxyphenyl) ester IUPAC Name: (4-hydroxyphenyl) 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propionic acid (4-hydroxyphenyl) ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)OC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)OC3=CC=C(C=C3)O

InChI

InChI=1S/C16H14N4O3S/c21-13-6-8-14(9-7-13)23-15(22)10-11-24-16-17-18-19-20(16)12-4-2-1-3-5-12/h1-9,21H,10-11H2