N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-thenyl)acetamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)SCC(=O)N(CC3=CC=CS3)C4=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)SCC(=O)N(CC3=CC=CS3)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C22H21N5O3S2/c1-14-10-15(2)27-21(23-14)24-22(25-27)32-13-20(28)26(12-17-4-3-9-31-17)16-5-6-18-19(11-16)30-8-7-29-18/h3-6,9-11H,7-8,12-13H2,1-2H3