5-phenethyl-3-sulfanyl-pyridine-2-carbonitrile

Systemtic Name: 5-phenethyl-3-sulfanyl-pyridine-2-carbonitrile Openeye Name: 5-phenethyl-3-sulfanyl-pyridine-2-carbonitrile CAS Name: 3-mercapto-5-phenethyl-2-pyridinecarbonitrile IUPAC Name: 5-phenethyl-3-sulfanylpyridine-2-carbonitrile Traditional Name: 3-mercapto-5-phenethyl-picolinonitrile Formula: C14H12N2S MolecularWeight: 240.32348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=C(N=C2)C#N)S

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=C(N=C2)C#N)S

InChI

InChI=1S/C14H12N2S/c15-9-13-14(17)8-12(10-16-13)7-6-11-4-2-1-3-5-11/h1-5,8,10,17H,6-7H2