N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C25H28N4O3S/c1-15-6-7-16(2)23-19(15)12-17(3)24-27-28-25(29(23)24)33-14-22(30)26-11-10-18-8-9-20(31-4)21(13-18)32-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,26,30)