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

Systemtic Name: 5-chloranyl-2-methoxy-4-[5-(2-oxidanylidenepropylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-(5-acetonylsulfanyltetrazol-1-yl)-5-chloro-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-4-[5-(2-oxopropylthio)-1-tetrazolyl]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[5-(2-oxopropylsulfanyl)tetrazol-1-yl]benzoic acid Traditional Name: 4-[5-(acetonylthio)tetrazol-1-yl]-5-chloro-2-methoxy-benzoic acid Formula: C12H11ClN4O4S MolecularWeight: 342.75814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4O4S/c1-6(18)5-22-12-14-15-16-17(12)9-4-10(21-2)7(11(19)20)3-8(9)13/h3-4H,5H2,1-2H3,(H,19,20)