2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-chloranyl-4-ethynyl-phenyl)ethanamide

Systemtic Name: 2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-chloranyl-4-ethynyl-phenyl)ethanamide Openeye Name: 2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-ethynyl-phenyl)acetamide CAS Name: 2-[[1-(2-chloro-4-cyclopropylphenyl)-5-tetrazolyl]thio]-N-(2-chloro-4-ethynylphenyl)acetamide IUPAC Name: 2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-ethynylphenyl)acetamide Traditional Name: 2-[[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]thio]-N-(2-chloro-4-ethynyl-phenyl)acetamide Formula: C20H15Cl2N5OS MolecularWeight: 444.337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl2N5OS/c1-2-12-3-7-17(15(21)9-12)23-19(28)11-29-20-24-25-26-27(20)18-8-6-14(10-16(18)22)13-4-5-13/h1,3,6-10,13H,4-5,11H2,(H,23,28)