ethanedioic acid; 4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

Systemtic Name: ethanedioic acid; 4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: oxalic acid; 4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide CAS Name: oxalic acid; 4-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: oxalic acid; 4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: oxalic acid; 4-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSCC2=NN=C(O2)C3=CC=C(C=C3)C(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCSCC2=NN=C(O2)C3=CC=C(C=C3)C(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17N3O3S.C2H2O4/c19-17(22)13-6-8-14(9-7-13)18-21-20-16(24-18)12-25-11-10-23-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-9H,10-12H2,(H2,19,22);(H,3,4)(H,5,6)