2-(octylsulfinylmethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(octylsulfinylmethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-(octylsulfinylmethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-(octylsulfinylmethylthio)-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-(octylsulfinylmethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-(octylsulfinylmethylthio)-4,6-diphenyl-nicotinonitrile Formula: C27H30N2OS2 MolecularWeight: 462.6699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCS(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H30N2OS2/c1-2-3-4-5-6-13-18-32(30)21-31-27-25(20-28)24(22-14-9-7-10-15-22)19-26(29-27)23-16-11-8-12-17-23/h7-12,14-17,19H,2-6,13,18,21H2,1H3