4-[2-[5,5-dimethyl-8-(4-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[5,5-dimethyl-8-(4-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[5,5-dimethyl-8-(4-methylthiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(4-methyl-2-thiazolyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5,5-dimethyl-8-(4-methyl-1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[5,5-dimethyl-8-(4-methylthiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C25H21NO2S MolecularWeight: 399.50474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CSC(=N1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C25H21NO2S/c1-16-15-29-23(26-16)20-12-13-25(2,3)22-11-8-18(14-21(20)22)5-4-17-6-9-19(10-7-17)24(27)28/h6-12,14-15H,13H2,1-3H3,(H,27,28)