2-[4-[(4-methylphenyl)methylsulfanyl]pyrrolo[3,2-c]pyridin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(4-methylphenyl)methylsulfanyl]pyrrolo[3,2-c]pyridin-1-yl]-N-propyl-ethanamide Openeye Name: N-propyl-2-[4-(p-tolylmethylsulfanyl)pyrrolo[3,2-c]pyridin-1-yl]acetamide CAS Name: 2-[4-[(4-methylphenyl)methylthio]-1-pyrrolo[3,2-c]pyridinyl]-N-propylacetamide IUPAC Name: 2-[4-[(4-methylphenyl)methylsulfanyl]pyrrolo[3,2-c]pyridin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[(4-methylbenzyl)thio]pyrrolo[3,2-c]pyridin-1-yl]-N-propyl-acetamide Formula: C20H23N3OS MolecularWeight: 353.48112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C=CC2=C1C=CN=C2SCC3=CC=C(C=C3)C

Isomeric SMILES

CCCNC(=O)CN1C=CC2=C1C=CN=C2SCC3=CC=C(C=C3)C

InChI

InChI=1S/C20H23N3OS/c1-3-10-21-19(24)13-23-12-9-17-18(23)8-11-22-20(17)25-14-16-6-4-15(2)5-7-16/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,21,24)