6-ethyl-5-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-ethyl-5-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[(E)-cinnamyl]sulfanyl-6-ethyl-5-methyl-pyridine-3-carbonitrile CAS Name: 6-ethyl-5-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-ethyl-5-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[(E)-cinnamyl]thio]-6-ethyl-5-methyl-nicotinonitrile Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC=CC2=CC=CC=C2)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SC/C=C/C2=CC=CC=C2)C#N)C

InChI

InChI=1S/C18H18N2S/c1-3-17-14(2)12-16(13-19)18(20-17)21-11-7-10-15-8-5-4-6-9-15/h4-10,12H,3,11H2,1-2H3/b10-7+