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

Systemtic Name: 6-(4-methoxyphenyl)-2-octylsulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-octylsulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(octylthio)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-octylsulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(octylthio)-4-phenyl-nicotinonitrile Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H30N2OS/c1-3-4-5-6-7-11-18-31-27-25(20-28)24(21-12-9-8-10-13-21)19-26(29-27)22-14-16-23(30-2)17-15-22/h8-10,12-17,19H,3-7,11,18H2,1-2H3