8-[4-(1-ethyl-5-phenyl-4-sulfanylidene-pyridin-3-yl)phenoxy]octanenitrile

Systemtic Name: 8-[4-(1-ethyl-5-phenyl-4-sulfanylidene-pyridin-3-yl)phenoxy]octanenitrile Openeye Name: 8-[4-(1-ethyl-5-phenyl-4-thioxo-3-pyridyl)phenoxy]octanenitrile CAS Name: 8-[4-(1-ethyl-5-phenyl-4-sulfanylidene-3-pyridinyl)phenoxy]octanenitrile IUPAC Name: 8-[4-(1-ethyl-5-phenyl-4-sulfanylidenepyridin-3-yl)phenoxy]octanenitrile Traditional Name: 8-[4-(1-ethyl-5-phenyl-4-thioxo-3-pyridyl)phenoxy]caprylonitrile Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=S)C(=C1)C2=CC=C(C=C2)OCCCCCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=S)C(=C1)C2=CC=C(C=C2)OCCCCCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2OS/c1-2-29-20-25(22-12-8-7-9-13-22)27(31)26(21-29)23-14-16-24(17-15-23)30-19-11-6-4-3-5-10-18-28/h7-9,12-17,20-21H,2-6,10-11,19H2,1H3