3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(2-pyrazinyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)thio]methyl]benzoic acid Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=NC=CN=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=NC=CN=C3)C(=O)O

InChI

InChI=1S/C14H10N4O3S/c19-13(20)10-3-1-2-9(6-10)8-22-14-18-17-12(21-14)11-7-15-4-5-16-11/h1-7H,8H2,(H,19,20)