4-[4-[5-(3-ethoxy-5-iodanyl-phenyl)-1-methyl-4-sulfanylidene-pyridin-3-yl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[5-(3-ethoxy-5-iodanyl-phenyl)-1-methyl-4-sulfanylidene-pyridin-3-yl]phenoxy]butanenitrile Openeye Name: 4-[4-[5-(3-ethoxy-5-iodo-phenyl)-1-methyl-4-thioxo-3-pyridyl]phenoxy]butanenitrile CAS Name: 4-[4-[5-(3-ethoxy-5-iodophenyl)-1-methyl-4-sulfanylidene-3-pyridinyl]phenoxy]butanenitrile IUPAC Name: 4-[4-[5-(3-ethoxy-5-iodophenyl)-1-methyl-4-sulfanylidenepyridin-3-yl]phenoxy]butanenitrile Traditional Name: 4-[4-[5-(3-ethoxy-5-iodo-phenyl)-1-methyl-4-thioxo-3-pyridyl]phenoxy]butyronitrile Formula: C24H23IN2O2S MolecularWeight: 530.42109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)OCCCC#N)C)I

Isomeric SMILES

CCOC1=CC(=CC(=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)OCCCC#N)C)I

InChI

InChI=1S/C24H23IN2O2S/c1-3-28-21-13-18(12-19(25)14-21)23-16-27(2)15-22(24(23)30)17-6-8-20(9-7-17)29-11-5-4-10-26/h6-9,12-16H,3-5,11H2,1-2H3