2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[2-chloranyl-4-[3-(diethylamino)prop-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-(diethylamino)prop-1-ynyl]phenyl]ethanamide Openeye Name: 2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide CAS Name: 2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-N-[2-chloro-4-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide IUPAC Name: 2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide Traditional Name: 2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]-N-[2-chloro-4-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide Formula: C26H30Cl2N6OS MolecularWeight: 545.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30Cl2N6OS/c1-6-33(7-2)14-8-9-18-10-12-22(20(27)15-18)29-24(35)17-36-25-30-31-32-34(25)23-13-11-19(16-21(23)28)26(3,4)5/h10-13,15-16H,6-7,14,17H2,1-5H3,(H,29,35)