2-dodecylsulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-dodecylsulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-dodecylsulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-(dodecylthio)-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-dodecylsulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(laurylthio)-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C31H38N2OS MolecularWeight: 486.71122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C31H38N2OS/c1-3-4-5-6-7-8-9-10-11-15-22-35-31-29(24-32)28(25-16-13-12-14-17-25)23-30(33-31)26-18-20-27(34-2)21-19-26/h12-14,16-21,23H,3-11,15,22H2,1-2H3