3-[3-(2-pyridin-2-ylsulfanylethanoyl)indol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-pyridin-2-ylsulfanylethanoyl)indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(2-pyridylsulfanyl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(2-pyridinylthio)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2-pyridin-2-ylsulfanylacetyl)indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(2-pyridylthio)acetyl]indol-1-yl]propionitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C18H15N3OS/c19-9-5-11-21-12-15(14-6-1-2-7-16(14)21)17(22)13-23-18-8-3-4-10-20-18/h1-4,6-8,10,12H,5,11,13H2