5-[6-(4-chlorophenyl)hex-5-ynyl]-5-(4-methoxyphenyl)sulfanyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[6-(4-chlorophenyl)hex-5-ynyl]-5-(4-methoxyphenyl)sulfanyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[6-(4-chlorophenyl)hex-5-ynyl]-5-(4-methoxyphenyl)sulfanyl-thiazolidine-2,4-dione CAS Name: 5-[6-(4-chlorophenyl)hex-5-ynyl]-5-[(4-methoxyphenyl)thio]thiazolidine-2,4-dione IUPAC Name: 5-[6-(4-chlorophenyl)hex-5-ynyl]-5-(4-methoxyphenyl)sulfanyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[6-(4-chlorophenyl)hex-5-ynyl]-5-[(4-methoxyphenyl)thio]thiazolidine-2,4-quinone Formula: C22H20ClNO3S2 MolecularWeight: 445.9821

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2(C(=O)NC(=O)S2)CCCCC#CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)SC2(C(=O)NC(=O)S2)CCCCC#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO3S2/c1-27-18-11-13-19(14-12-18)28-22(20(25)24-21(26)29-22)15-5-3-2-4-6-16-7-9-17(23)10-8-16/h7-14H,2-3,5,15H2,1H3,(H,24,25,26)