6-(4-bromophenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-(octylsulfinylmethylthio)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(octylsulfinylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-(octylsulfinylmethylthio)-4-phenyl-nicotinonitrile Formula: C27H29BrN2OS2 MolecularWeight: 541.56596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN2OS2/c1-2-3-4-5-6-10-17-33(31)20-32-27-25(19-29)24(21-11-8-7-9-12-21)18-26(30-27)22-13-15-23(28)16-14-22/h7-9,11-16,18H,2-6,10,17,20H2,1H3