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

Systemtic Name: 2-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furoic acid Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=C(C=CO4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=C(C=CO4)C(=O)O

InChI

InChI=1S/C20H15N3O4S2/c24-18(25)16-10-11-26-17(16)12-28-20-23-22-19(29-20)21-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22)(H,24,25)