N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(4-pyridyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[[5-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-pyridin-4-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-homoveratryl-2-[[[5-(4-pyridyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C29H25F3N6O3S2 MolecularWeight: 626.67241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)C5=CC=NC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)C5=CC=NC=C5)OC

InChI

InChI=1S/C29H25F3N6O3S2/c1-40-23-7-6-18(14-24(23)41-2)8-13-34-27(39)22-16-42-25(35-22)17-43-28-37-36-26(19-9-11-33-12-10-19)38(28)21-5-3-4-20(15-21)29(30,31)32/h3-7,9-12,14-16H,8,13,17H2,1-2H3,(H,34,39)