2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-chloranyl-4-pent-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-pent-1-ynyl-phenyl)ethanamide Openeye Name: 2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-pent-1-ynyl-phenyl)acetamide CAS Name: 2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-N-(2-chloro-4-pent-1-ynylphenyl)acetamide IUPAC Name: 2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-pent-1-ynylphenyl)acetamide Traditional Name: 2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]-N-(2-chloro-4-pent-1-ynyl-phenyl)acetamide Formula: C24H25Cl2N5OS MolecularWeight: 502.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C(C)(C)C)Cl)Cl

Isomeric SMILES

CCCC#CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C(C)(C)C)Cl)Cl

InChI

InChI=1S/C24H25Cl2N5OS/c1-5-6-7-8-16-9-11-20(18(25)13-16)27-22(32)15-33-23-28-29-30-31(23)21-12-10-17(14-19(21)26)24(2,3)4/h9-14H,5-6,15H2,1-4H3,(H,27,32)