6-butyl-2-[2-[4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoyl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-butyl-2-[2-[4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoyl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[2-[4-[2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]acetyl]phenyl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[2-[4-[2-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxoethyl]phenyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-[2-[4-[2-(6-butyl-3-cyanopyridin-2-yl)sulfanylacetyl]phenyl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[[2-[4-[2-[(6-butyl-3-cyano-2-pyridyl)thio]acetyl]phenyl]-2-keto-ethyl]thio]nicotinonitrile Formula: C30H30N4O2S2 MolecularWeight: 542.7148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)C(=O)CSC3=C(C=CC(=N3)CCCC)C#N

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)C(=O)CSC3=C(C=CC(=N3)CCCC)C#N

InChI

InChI=1S/C30H30N4O2S2/c1-3-5-7-25-15-13-23(17-31)29(33-25)37-19-27(35)21-9-11-22(12-10-21)28(36)20-38-30-24(18-32)14-16-26(34-30)8-6-4-2/h9-16H,3-8,19-20H2,1-2H3