3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN=C(S1)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)NC1=NN=C(S1)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17N3O2S2/c1-14(2,3)15-12-16-17-13(21-12)20-8-9-5-4-6-10(7-9)11(18)19/h4-7H,8H2,1-3H3,(H,15,16)(H,18,19)