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

Systemtic Name: 4-[2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(2-thiazolyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5,5-dimethyl-8-(1,3-thiazol-2-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-(5,5-dimethyl-8-thiazol-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C24H19NO2S MolecularWeight: 385.47816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=NC=CS4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=NC=CS4)C

InChI

InChI=1S/C24H19NO2S/c1-24(2)12-11-19(22-25-13-14-28-22)20-15-17(7-10-21(20)24)4-3-16-5-8-18(9-6-16)23(26)27/h5-11,13-15H,12H2,1-2H3,(H,26,27)