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

Systemtic Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzoic acid Openeye Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzoic acid CAS Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzoic acid IUPAC Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzoic acid Traditional Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzoic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H10N2O2S/c1-7-12-13-10(16-7)6-8-2-4-9(5-3-8)11(14)15/h2-5H,6H2,1H3,(H,14,15)