4-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid

Systemtic Name: 4-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid Openeye Name: 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid CAS Name: 4-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid IUPAC Name: 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid Traditional Name: 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NSC(=N2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NSC(=N2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-15(20)12-6-8-13(9-7-12)21-16-17-14(18-22-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)