2-[3-[3-ethynyl-5-(phenylmethylsulfanyl)phenyl]-5-(2-hexylphenyl)-4-sulfanylidene-pyridin-1-yl]ethanenitrile

Systemtic Name: 2-[3-[3-ethynyl-5-(phenylmethylsulfanyl)phenyl]-5-(2-hexylphenyl)-4-sulfanylidene-pyridin-1-yl]ethanenitrile Openeye Name: 2-[3-(3-benzylsulfanyl-5-ethynyl-phenyl)-5-(2-hexylphenyl)-4-thioxo-1-pyridyl]acetonitrile CAS Name: 2-[3-[3-ethynyl-5-(phenylmethylthio)phenyl]-5-(2-hexylphenyl)-4-sulfanylidene-1-pyridinyl]acetonitrile IUPAC Name: 2-[3-(3-benzylsulfanyl-5-ethynylphenyl)-5-(2-hexylphenyl)-4-sulfanylidenepyridin-1-yl]acetonitrile Traditional Name: 2-[3-[3-(benzylthio)-5-ethynyl-phenyl]-5-(2-hexylphenyl)-4-thioxo-1-pyridyl]acetonitrile Formula: C34H32N2S2 MolecularWeight: 532.76128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C2=CN(C=C(C2=S)C3=CC(=CC(=C3)C#C)SCC4=CC=CC=C4)CC#N

Isomeric SMILES

CCCCCCC1=CC=CC=C1C2=CN(C=C(C2=S)C3=CC(=CC(=C3)C#C)SCC4=CC=CC=C4)CC#N

InChI

InChI=1S/C34H32N2S2/c1-3-5-6-10-15-28-16-11-12-17-31(28)33-24-36(19-18-35)23-32(34(33)37)29-20-26(4-2)21-30(22-29)38-25-27-13-8-7-9-14-27/h2,7-9,11-14,16-17,20-24H,3,5-6,10,15,19,25H2,1H3