2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-[3-methyl-3-(2-pyrrolidin-1-ylethoxy)but-1-ynyl]phenyl]ethanamide

Systemtic Name: 2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-[3-methyl-3-(2-pyrrolidin-1-ylethoxy)but-1-ynyl]phenyl]ethanamide Openeye Name: 2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[3-methyl-3-(2-pyrrolidin-1-ylethoxy)but-1-ynyl]phenyl]acetamide CAS Name: 2-[[1-(2-chloro-4-cyclopropylphenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-[3-methyl-3-[2-(1-pyrrolidinyl)ethoxy]but-1-ynyl]phenyl]acetamide IUPAC Name: 2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[3-methyl-3-(2-pyrrolidin-1-ylethoxy)but-1-ynyl]phenyl]acetamide Traditional Name: 2-[[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]thio]-N-[2-chloro-4-[3-methyl-3-(2-pyrrolidinoethoxy)but-1-ynyl]phenyl]acetamide Formula: C29H32Cl2N6O2S MolecularWeight: 599.57438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C4CC4)Cl)Cl)OCCN5CCCC5

Isomeric SMILES

CC(C)(C#CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C4CC4)Cl)Cl)OCCN5CCCC5

InChI

InChI=1S/C29H32Cl2N6O2S/c1-29(2,39-16-15-36-13-3-4-14-36)12-11-20-5-9-25(23(30)17-20)32-27(38)19-40-28-33-34-35-37(28)26-10-8-22(18-24(26)31)21-6-7-21/h5,8-10,17-18,21H,3-4,6-7,13-16,19H2,1-2H3,(H,32,38)