N-(2,6-diethylphenyl)-2-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[1-(4-ethoxyphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[(1-p-phenetyltetrazol-5-yl)thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H25N5O2S/c1-4-15-8-7-9-16(5-2)20(15)22-19(27)14-29-21-23-24-25-26(21)17-10-12-18(13-11-17)28-6-3/h7-13H,4-6,14H2,1-3H3,(H,22,27)