4-[2-(4-cyclohexyloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid

Systemtic Name: 4-[2-(4-cyclohexyloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid Openeye Name: 4-[2-[4-(cyclohexoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid CAS Name: 4-[2-(4-cyclohexyloxyphenyl)-6-imidazo[2,1-b][1,3,4]thiadiazolyl]benzoic acid IUPAC Name: 4-[2-(4-cyclohexyloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid Traditional Name: 4-[2-[4-(cyclohexoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=CC=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)OC2=CC=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C23H21N3O3S/c27-22(28)17-8-6-15(7-9-17)20-14-26-23(24-20)30-21(25-26)16-10-12-19(13-11-16)29-18-4-2-1-3-5-18/h6-14,18H,1-5H2,(H,27,28)