5-(phenylmethyl)-3-sulfanyl-pyridine-2-carbonitrile

Systemtic Name: 5-(phenylmethyl)-3-sulfanyl-pyridine-2-carbonitrile Openeye Name: 5-benzyl-3-sulfanyl-pyridine-2-carbonitrile CAS Name: 3-mercapto-5-(phenylmethyl)-2-pyridinecarbonitrile IUPAC Name: 5-benzyl-3-sulfanylpyridine-2-carbonitrile Traditional Name: 5-benzyl-3-mercapto-picolinonitrile Formula: C13H10N2S MolecularWeight: 226.2969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(N=C2)C#N)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(N=C2)C#N)S

InChI

InChI=1S/C13H10N2S/c14-8-12-13(16)7-11(9-15-12)6-10-4-2-1-3-5-10/h1-5,7,9,16H,6H2