3-[4-[1-(2-chloroethyl)-4-sulfanylidene-pyridin-3-yl]phenyl]propanenitrile

Systemtic Name: 3-[4-[1-(2-chloroethyl)-4-sulfanylidene-pyridin-3-yl]phenyl]propanenitrile Openeye Name: 3-[4-[1-(2-chloroethyl)-4-thioxo-3-pyridyl]phenyl]propanenitrile CAS Name: 3-[4-[1-(2-chloroethyl)-4-sulfanylidene-3-pyridinyl]phenyl]propanenitrile IUPAC Name: 3-[4-[1-(2-chloroethyl)-4-sulfanylidenepyridin-3-yl]phenyl]propanenitrile Traditional Name: 3-[4-[1-(2-chloroethyl)-4-thioxo-3-pyridyl]phenyl]propionitrile Formula: C16H15ClN2S MolecularWeight: 302.8217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC#N)C2=CN(C=CC2=S)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCC#N)C2=CN(C=CC2=S)CCCl

InChI

InChI=1S/C16H15ClN2S/c17-8-11-19-10-7-16(20)15(12-19)14-5-3-13(4-6-14)2-1-9-18/h3-7,10,12H,1-2,8,11H2