3,5-bis(chloranyl)-4-[4-methoxy-3-[(6-methoxypyridin-2-yl)methyl]phenyl]sulfanyl-benzenecarbonitrile

Systemtic Name: 3,5-bis(chloranyl)-4-[4-methoxy-3-[(6-methoxypyridin-2-yl)methyl]phenyl]sulfanyl-benzenecarbonitrile Openeye Name: 3,5-dichloro-4-[4-methoxy-3-[(6-methoxy-2-pyridyl)methyl]phenyl]sulfanyl-benzonitrile CAS Name: 3,5-dichloro-4-[[4-methoxy-3-[(6-methoxy-2-pyridinyl)methyl]phenyl]thio]benzonitrile IUPAC Name: 3,5-dichloro-4-[4-methoxy-3-[(6-methoxypyridin-2-yl)methyl]phenyl]sulfanylbenzonitrile Traditional Name: 3,5-dichloro-4-[[4-methoxy-3-[(6-methoxy-2-pyridyl)methyl]phenyl]thio]benzonitrile Formula: C21H16Cl2N2O2S MolecularWeight: 431.33494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC2=C(C=C(C=C2Cl)C#N)Cl)CC3=NC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC2=C(C=C(C=C2Cl)C#N)Cl)CC3=NC(=CC=C3)OC

InChI

InChI=1S/C21H16Cl2N2O2S/c1-26-19-7-6-16(28-21-17(22)8-13(12-24)9-18(21)23)11-14(19)10-15-4-3-5-20(25-15)27-2/h3-9,11H,10H2,1-2H3