2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-(3,3-dimethyl-4-oxidanyl-but-1-ynyl)phenyl]ethanamide

Systemtic Name: 2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-(3,3-dimethyl-4-oxidanyl-but-1-ynyl)phenyl]ethanamide Openeye Name: 2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(4-hydroxy-3,3-dimethyl-but-1-ynyl)phenyl]acetamide CAS Name: 2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-(4-hydroxy-3,3-dimethylbut-1-ynyl)phenyl]acetamide IUPAC Name: 2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(4-hydroxy-3,3-dimethylbut-1-ynyl)phenyl]acetamide Traditional Name: 2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]-N-[2-chloro-4-(4-hydroxy-3,3-dimethyl-but-1-ynyl)phenyl]acetamide Formula: C25H27Cl2N5O2S MolecularWeight: 532.48518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)CO)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)CO)Cl)Cl

InChI

InChI=1S/C25H27Cl2N5O2S/c1-24(2,3)17-7-9-21(19(27)13-17)32-23(29-30-31-32)35-14-22(34)28-20-8-6-16(12-18(20)26)10-11-25(4,5)15-33/h6-9,12-13,33H,14-15H2,1-5H3,(H,28,34)