2-hexylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-hexylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-hexylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-(hexylthio)-4,6-bis(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-hexylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-(hexylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C26H28N2O2S/c1-4-5-6-7-16-31-26-24(18-27)23(19-8-12-21(29-2)13-9-19)17-25(28-26)20-10-14-22(30-3)15-11-20/h8-15,17H,4-7,16H2,1-3H3