4-[(3-chlorophenyl)methyl]-3-sulfanyl-pyridine-2-carbonitrile

Systemtic Name: 4-[(3-chlorophenyl)methyl]-3-sulfanyl-pyridine-2-carbonitrile Openeye Name: 4-[(3-chlorophenyl)methyl]-3-sulfanyl-pyridine-2-carbonitrile CAS Name: 4-[(3-chlorophenyl)methyl]-3-mercapto-2-pyridinecarbonitrile IUPAC Name: 4-[(3-chlorophenyl)methyl]-3-sulfanylpyridine-2-carbonitrile Traditional Name: 4-(3-chlorobenzyl)-3-mercapto-picolinonitrile Formula: C13H9ClN2S MolecularWeight: 260.74196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2S/c14-11-3-1-2-9(7-11)6-10-4-5-16-12(8-15)13(10)17/h1-5,7,17H,6H2