2-naphtho[2,1-e][1]benzothiol-3-ylethanenitrile

Systemtic Name: 2-naphtho[2,1-e][1]benzothiol-3-ylethanenitrile Openeye Name: 2-naphtho[2,1-e]benzothiophen-3-ylacetonitrile CAS Name: 2-(3-naphtho[2,1-e][1]benzothiolyl)acetonitrile IUPAC Name: 2-naphtho[2,1-e][1]benzothiol-3-ylacetonitrile Traditional Name: 2-naphtho[2,1-e]benzothiophen-3-ylacetonitrile Formula: C18H11NS MolecularWeight: 273.35164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=CS4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=CS4)CC#N

InChI

InChI=1S/C18H11NS/c19-10-9-13-11-20-17-8-7-15-14-4-2-1-3-12(14)5-6-16(15)18(13)17/h1-8,11H,9H2