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

Systemtic Name: 3-[3-(2-quinolin-2-ylsulfanylethanoyl)indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(2-quinolylsulfanyl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(2-quinolinylthio)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2-quinolin-2-ylsulfanylacetyl)indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(2-quinolylthio)acetyl]indol-1-yl]propionitrile Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H17N3OS/c23-12-5-13-25-14-18(17-7-2-4-9-20(17)25)21(26)15-27-22-11-10-16-6-1-3-8-19(16)24-22/h1-4,6-11,14H,5,13,15H2