2-[[1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]thio]-N-phenethyl-acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H21N5O3S/c1-26-16-9-8-15(12-17(16)27-2)24-19(21-22-23-24)28-13-18(25)20-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)