2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-(3-pyrrolidin-1-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-pyrrolidin-1-ylprop-1-ynyl)phenyl]ethanamide Openeye Name: 2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]acetamide CAS Name: 2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-[3-(1-pyrrolidinyl)prop-1-ynyl]phenyl]acetamide IUPAC Name: 2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(3-pyrrolidin-1-ylprop-1-ynyl)phenyl]acetamide Traditional Name: 2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]-N-[2-chloro-4-(3-pyrrolidinoprop-1-ynyl)phenyl]acetamide Formula: C26H28Cl2N6OS MolecularWeight: 543.51112

Click to see the large picture

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#CCN4CCCC4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CCN4CCCC4)Cl)Cl

InChI

InChI=1S/C26H28Cl2N6OS/c1-26(2,3)19-9-11-23(21(28)16-19)34-25(30-31-32-34)36-17-24(35)29-22-10-8-18(15-20(22)27)7-6-14-33-12-4-5-13-33/h8-11,15-16H,4-5,12-14,17H2,1-3H3,(H,29,35)