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

Systemtic Name: 4-[3-[5-(3-iodanyl-5-methoxy-phenyl)-1-methyl-4-sulfanylidene-pyridin-3-yl]phenoxy]butanenitrile Openeye Name: 4-[3-[5-(3-iodo-5-methoxy-phenyl)-1-methyl-4-thioxo-3-pyridyl]phenoxy]butanenitrile CAS Name: 4-[3-[5-(3-iodo-5-methoxyphenyl)-1-methyl-4-sulfanylidene-3-pyridinyl]phenoxy]butanenitrile IUPAC Name: 4-[3-[5-(3-iodo-5-methoxyphenyl)-1-methyl-4-sulfanylidenepyridin-3-yl]phenoxy]butanenitrile Traditional Name: 4-[3-[5-(3-iodo-5-methoxy-phenyl)-1-methyl-4-thioxo-3-pyridyl]phenoxy]butyronitrile Formula: C23H21IN2O2S MolecularWeight: 516.39451

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C(=C1)C2=CC(=CC(=C2)I)OC)C3=CC(=CC=C3)OCCCC#N

Isomeric SMILES

CN1C=C(C(=S)C(=C1)C2=CC(=CC(=C2)I)OC)C3=CC(=CC=C3)OCCCC#N

InChI

InChI=1S/C23H21IN2O2S/c1-26-14-21(16-6-5-7-19(11-16)28-9-4-3-8-25)23(29)22(15-26)17-10-18(24)13-20(12-17)27-2/h5-7,10-15H,3-4,9H2,1-2H3