2-[5-(5-phenylsulfanylfuran-2-yl)-1,2,3,4-tetrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(5-phenylsulfanylfuran-2-yl)-1,2,3,4-tetrazol-1-yl]ethanoic acid Openeye Name: 2-[5-(5-phenylsulfanyl-2-furyl)tetrazol-1-yl]acetic acid CAS Name: 2-[5-[5-(phenylthio)-2-furanyl]-1-tetrazolyl]acetic acid IUPAC Name: 2-[5-(5-phenylsulfanylfuran-2-yl)tetrazol-1-yl]acetic acid Traditional Name: 2-[5-[5-(phenylthio)-2-furyl]tetrazol-1-yl]acetic acid Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(O2)C3=NN=NN3CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(O2)C3=NN=NN3CC(=O)O

InChI

InChI=1S/C13H10N4O3S/c18-11(19)8-17-13(14-15-16-17)10-6-7-12(20-10)21-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)