2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-(6-oxidanylhex-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-(6-oxidanylhex-1-ynyl)phenyl]ethanamide Openeye Name: 2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(6-hydroxyhex-1-ynyl)phenyl]acetamide CAS Name: 2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-(6-hydroxyhex-1-ynyl)phenyl]acetamide IUPAC Name: 2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(6-hydroxyhex-1-ynyl)phenyl]acetamide Traditional Name: 2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]-N-[2-chloro-4-(6-hydroxyhex-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#CCCCCO)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H27Cl2N5O2S/c1-25(2,3)18-10-12-22(20(27)15-18)32-24(29-30-31-32)35-16-23(34)28-21-11-9-17(14-19(21)26)8-6-4-5-7-13-33/h9-12,14-15,33H,4-5,7,13,16H2,1-3H3,(H,28,34)