[5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl] thiocyanate

Systemtic Name: [5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl] thiocyanate Openeye Name: (1-benzyl-5-cyano-4H-pyridin-3-yl) thiocyanate CAS Name: thiocyanic acid [5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl] ester IUPAC Name: (1-benzyl-5-cyano-4H-pyridin-3-yl) thiocyanate Traditional Name: thiocyanic acid (1-benzyl-5-cyano-4H-pyridin-3-yl) ester Formula: C14H11N3S MolecularWeight: 253.32224

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN(C=C1SC#N)CC2=CC=CC=C2)C#N

Isomeric SMILES

C1C(=CN(C=C1SC#N)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C14H11N3S/c15-7-13-6-14(18-11-16)10-17(9-13)8-12-4-2-1-3-5-12/h1-5,9-10H,6,8H2