4-[3-(4-cyclohexylphenyl)-2H-1,3,4-thiadiazol-5-yl]benzoic acid

Systemtic Name: 4-[3-(4-cyclohexylphenyl)-2H-1,3,4-thiadiazol-5-yl]benzoic acid Openeye Name: 4-[3-(4-cyclohexylphenyl)-2H-1,3,4-thiadiazol-5-yl]benzoic acid CAS Name: 4-[3-(4-cyclohexylphenyl)-2H-1,3,4-thiadiazol-5-yl]benzoic acid IUPAC Name: 4-[3-(4-cyclohexylphenyl)-2H-1,3,4-thiadiazol-5-yl]benzoic acid Traditional Name: 4-[3-(4-cyclohexylphenyl)-2H-1,3,4-thiadiazol-5-yl]benzoic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N3CSC(=N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CSC(=N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c24-21(25)18-8-6-17(7-9-18)20-22-23(14-26-20)19-12-10-16(11-13-19)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,24,25)