2-hexadecylsulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-hexadecylsulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-hexadecylsulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-(hexadecylthio)-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-hexadecylsulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-(cetylthio)-4,6-diphenyl-nicotinonitrile Formula: C34H44N2S MolecularWeight: 512.79156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C34H44N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-37-34-32(28-35)31(29-22-17-15-18-23-29)27-33(36-34)30-24-19-16-20-25-30/h15-20,22-25,27H,2-14,21,26H2,1H3