4,5,6-trimethyl-2-phenethylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-phenethylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-phenethylsulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-(phenethylthio)-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-phenethylsulfanylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-(phenethylthio)nicotinonitrile Formula: C17H18N2S MolecularWeight: 282.40322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCCC2=CC=CC=C2)C

InChI

InChI=1S/C17H18N2S/c1-12-13(2)16(11-18)17(19-14(12)3)20-10-9-15-7-5-4-6-8-15/h4-8H,9-10H2,1-3H3