3-[5-(2-oxidanylidenepropylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(2-oxidanylidenepropylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-(5-acetonylsulfanyltetrazol-1-yl)benzoic acid CAS Name: 3-[5-(2-oxopropylthio)-1-tetrazolyl]benzoic acid IUPAC Name: 3-[5-(2-oxopropylsulfanyl)tetrazol-1-yl]benzoic acid Traditional Name: 3-[5-(acetonylthio)tetrazol-1-yl]benzoic acid Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=NN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(=O)CSC1=NN=NN1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C11H10N4O3S/c1-7(16)6-19-11-12-13-14-15(11)9-4-2-3-8(5-9)10(17)18/h2-5H,6H2,1H3,(H,17,18)