2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[[4-(morpholinomethyl)phenyl]methyl]acetamide CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-N-[[4-(4-morpholinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]-N-[4-(morpholinomethyl)benzyl]acetamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3=CC=C(C=C3)CN4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3=CC=C(C=C3)CN4CCOCC4)C

InChI

InChI=1S/C23H28N6O2S/c1-17-3-8-21(18(2)13-17)29-23(25-26-27-29)32-16-22(30)24-14-19-4-6-20(7-5-19)15-28-9-11-31-12-10-28/h3-8,13H,9-12,14-16H2,1-2H3,(H,24,30)