4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)but-3-ynamide

Systemtic Name: 4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)but-3-ynamide Openeye Name: 4-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenyl]-2,2-dimethyl-N-(2-morpholinoethyl)but-3-ynamide CAS Name: 4-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenyl]-2,2-dimethyl-N-[2-(4-morpholinyl)ethyl]-3-butynamide IUPAC Name: 4-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)but-3-ynamide Traditional Name: 4-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenyl]-2,2-dimethyl-N-(2-morpholinoethyl)but-3-ynamide Formula: C31H37Cl2N7O3S MolecularWeight: 658.64158

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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#CC(C)(C)C(=O)NCCN4CCOCC4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)C(=O)NCCN4CCOCC4)Cl)Cl

InChI

InChI=1S/C31H37Cl2N7O3S/c1-30(2,3)22-7-9-26(24(33)19-22)40-29(36-37-38-40)44-20-27(41)35-25-8-6-21(18-23(25)32)10-11-31(4,5)28(42)34-12-13-39-14-16-43-17-15-39/h6-9,18-19H,12-17,20H2,1-5H3,(H,34,42)(H,35,41)