4-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C20H17N3O3S/c1-11-12(2)21-17-8-7-15(9-16(11)17)18-22-23-20(26-18)27-10-13-3-5-14(6-4-13)19(24)25/h3-9,21H,10H2,1-2H3,(H,24,25)