2-[4-(phenylmethylsulfanyl)pyrrolo[3,2-c]pyridin-1-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(phenylmethylsulfanyl)pyrrolo[3,2-c]pyridin-1-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(4-benzylsulfanylpyrrolo[3,2-c]pyridin-1-yl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-[4-(phenylmethylthio)-1-pyrrolo[3,2-c]pyridinyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(4-benzylsulfanylpyrrolo[3,2-c]pyridin-1-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[4-(benzylthio)pyrrolo[3,2-c]pyridin-1-yl]-N-(3-pyridylmethyl)acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=CC3=C2C=CN3CC(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=CC3=C2C=CN3CC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20N4OS/c27-21(25-14-18-7-4-10-23-13-18)15-26-12-9-19-20(26)8-11-24-22(19)28-16-17-5-2-1-3-6-17/h1-13H,14-16H2,(H,25,27)