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

Systemtic Name: 2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-[2-[1-[(4-oxidanylpiperidin-1-yl)methyl]cyclopropyl]ethynyl]phenyl]ethanamide Openeye Name: 2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[2-[1-[(4-hydroxy-1-piperidyl)methyl]cyclopropyl]ethynyl]phenyl]acetamide CAS Name: 2-[[1-(2-chloro-4-cyclopropylphenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-[2-[1-[(4-hydroxy-1-piperidinyl)methyl]cyclopropyl]ethynyl]phenyl]acetamide IUPAC Name: 2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[2-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]ethynyl]phenyl]acetamide Traditional Name: 2-[[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]thio]-N-[2-chloro-4-[2-[1-[(4-hydroxypiperidino)methyl]cyclopropyl]ethynyl]phenyl]acetamide Formula: C29H30Cl2N6O2S MolecularWeight: 597.5585

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=C(C=C2)N3C(=NN=N3)SCC(=O)NC4=C(C=C(C=C4)C#CC5(CC5)CN6CCC(CC6)O)Cl)Cl

Isomeric SMILES

C1CC1C2=CC(=C(C=C2)N3C(=NN=N3)SCC(=O)NC4=C(C=C(C=C4)C#CC5(CC5)CN6CCC(CC6)O)Cl)Cl

InChI

InChI=1S/C29H30Cl2N6O2S/c30-23-15-19(7-10-29(11-12-29)18-36-13-8-22(38)9-14-36)1-5-25(23)32-27(39)17-40-28-33-34-35-37(28)26-6-4-21(16-24(26)31)20-2-3-20/h1,4-6,15-16,20,22,38H,2-3,8-9,11-14,17-18H2,(H,32,39)