[3-(2-pyridin-4-ylethyl)naphthalen-2-yl]methanethiol

Systemtic Name: [3-(2-pyridin-4-ylethyl)naphthalen-2-yl]methanethiol Openeye Name: [3-[2-(4-pyridyl)ethyl]-2-naphthyl]methanethiol CAS Name: [3-(2-pyridin-4-ylethyl)-2-naphthalenyl]methanethiol IUPAC Name: [3-(2-pyridin-4-ylethyl)naphthalen-2-yl]methanethiol Traditional Name: [3-[2-(4-pyridyl)ethyl]-2-naphthyl]methanethiol Formula: C18H17NS MolecularWeight: 279.39928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)CCC3=CC=NC=C3)CS

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)CCC3=CC=NC=C3)CS

InChI

InChI=1S/C18H17NS/c20-13-18-12-16-4-2-1-3-15(16)11-17(18)6-5-14-7-9-19-10-8-14/h1-4,7-12,20H,5-6,13H2