N-[2-[5-(1-cyclohexylprop-2-ynylsulfanyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[5-(1-cyclohexylprop-2-ynylsulfanyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]ethanamide Openeye Name: N-[2-[5-(1-cyclohexylprop-2-ynylsulfanyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide CAS Name: N-[2-[5-(1-cyclohexylprop-2-ynylthio)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide IUPAC Name: N-[2-[5-(1-cyclohexylprop-2-ynylsulfanyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide Traditional Name: N-[2-[5-(1-cyclohexylprop-2-ynylthio)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(NC2=NC=C(C=C12)SC(C#C)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCC1=C(NC2=NC=C(C=C12)SC(C#C)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3OS/c1-3-24(19-10-6-4-7-11-19)31-21-16-23-22(14-15-27-18(2)30)25(29-26(23)28-17-21)20-12-8-5-9-13-20/h1,5,8-9,12-13,16-17,19,24H,4,6-7,10-11,14-15H2,2H3,(H,27,30)(H,28,29)