2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-(3-morpholin-4-ylprop-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-morpholin-4-ylprop-1-ynyl)phenyl]ethanamide Openeye Name: 2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(3-morpholinoprop-1-ynyl)phenyl]acetamide CAS Name: 2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-[3-(4-morpholinyl)prop-1-ynyl]phenyl]acetamide IUPAC Name: 2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(3-morpholin-4-ylprop-1-ynyl)phenyl]acetamide Traditional Name: 2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]-N-[2-chloro-4-(3-morpholinoprop-1-ynyl)phenyl]acetamide Formula: C26H28Cl2N6O2S MolecularWeight: 559.51052

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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#CCN4CCOCC4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CCN4CCOCC4)Cl)Cl

InChI

InChI=1S/C26H28Cl2N6O2S/c1-26(2,3)19-7-9-23(21(28)16-19)34-25(30-31-32-34)37-17-24(35)29-22-8-6-18(15-20(22)27)5-4-10-33-11-13-36-14-12-33/h6-9,15-16H,10-14,17H2,1-3H3,(H,29,35)