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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3OC)C#N

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3OC)C#N

InChI

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