N-[2-(2,5-dimethoxyphenyl)ethyl]-2-([1,2,3]triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-([1,2,3]triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-triazolo[4,5-b]pyridinyloxymethyl)-4-morpholinecarbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholine-4-carbothioamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCOC(C2)CON3C4=C(C=CC=N4)N=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCOC(C2)CON3C4=C(C=CC=N4)N=N3

InChI

InChI=1S/C21H26N6O4S/c1-28-16-5-6-19(29-2)15(12-16)7-9-23-21(32)26-10-11-30-17(13-26)14-31-27-20-18(24-25-27)4-3-8-22-20/h3-6,8,12,17H,7,9-11,13-14H2,1-2H3,(H,23,32)