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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]-5-tetrazolyl]thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]thio]acetamide Formula: C18H16F3N5O4S MolecularWeight: 455.41095

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F)OC

InChI

InChI=1S/C18H16F3N5O4S/c1-28-13-7-8-14(15(9-13)29-2)22-16(27)10-31-17-23-24-25-26(17)11-3-5-12(6-4-11)30-18(19,20)21/h3-9H,10H2,1-2H3,(H,22,27)