2-[[5-(quinolin-5-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(quinolin-5-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(5-quinolylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-quinolinylamino)-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(quinolin-5-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-quinolylamino)-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C13H9N4O2S2- MolecularWeight: 317.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC3=NN=C(S3)SCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC3=NN=C(S3)SCC(=O)[O-]

InChI

InChI=1S/C13H10N4O2S2/c18-11(19)7-20-13-17-16-12(21-13)15-10-5-1-4-9-8(10)3-2-6-14-9/h1-6H,7H2,(H,15,16)(H,18,19)/p-1