2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-(3-piperidin-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-piperidin-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-(1-piperidyl)prop-1-ynyl]phenyl]acetamide CAS Name: 2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-[3-(1-piperidinyl)prop-1-ynyl]phenyl]acetamide IUPAC Name: 2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(3-piperidin-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-piperidinoprop-1-ynyl)phenyl]acetamide Formula: C27H30Cl2N6OS MolecularWeight: 557.5377

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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#CCN4CCCCC4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CCN4CCCCC4)Cl)Cl

InChI

InChI=1S/C27H30Cl2N6OS/c1-27(2,3)20-10-12-24(22(29)17-20)35-26(31-32-33-35)37-18-25(36)30-23-11-9-19(16-21(23)28)8-7-15-34-13-5-4-6-14-34/h9-12,16-17H,4-6,13-15,18H2,1-3H3,(H,30,36)