N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholine-4-carbothioamide Formula: C23H30N6O4S2 MolecularWeight: 518.6521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=S)NCCC4=C(C=CC(=C4)OC)OC)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=S)NCCC4=C(C=CC(=C4)OC)OC)SC

InChI

InChI=1S/C23H30N6O4S2/c1-15-11-20(29-21(25-15)26-22(27-29)35-4)33-14-18-13-28(9-10-32-18)23(34)24-8-7-16-12-17(30-2)5-6-19(16)31-3/h5-6,11-12,18H,7-10,13-14H2,1-4H3,(H,24,34)