5-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furoic acid Formula: C11H11N3O3S2 MolecularWeight: 297.35334

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H11N3O3S2/c1-2-5-12-10-13-14-11(19-10)18-6-7-3-4-8(17-7)9(15)16/h2-4H,1,5-6H2,(H,12,13)(H,15,16)