3-[4-[5-[2-bromanyl-4-(6-phenylhexylsulfanyl)phenyl]-1-methyl-4-sulfanylidene-pyridin-3-yl]-3-ethyl-phenyl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: 3-[4-[5-[2-bromanyl-4-(6-phenylhexylsulfanyl)phenyl]-1-methyl-4-sulfanylidene-pyridin-3-yl]-3-ethyl-phenyl]sulfanyl-2-methyl-propanenitrile Openeye Name: 3-[4-[5-[2-bromo-4-(6-phenylhexylsulfanyl)phenyl]-1-methyl-4-thioxo-3-pyridyl]-3-ethyl-phenyl]sulfanyl-2-methyl-propanenitrile CAS Name: 3-[[4-[5-[2-bromo-4-(6-phenylhexylthio)phenyl]-1-methyl-4-sulfanylidene-3-pyridinyl]-3-ethylphenyl]thio]-2-methylpropanenitrile IUPAC Name: 3-[4-[5-[2-bromo-4-(6-phenylhexylsulfanyl)phenyl]-1-methyl-4-sulfanylidenepyridin-3-yl]-3-ethylphenyl]sulfanyl-2-methylpropanenitrile Traditional Name: 3-[[4-[5-[2-bromo-4-(6-phenylhexylthio)phenyl]-1-methyl-4-thioxo-3-pyridyl]-3-ethyl-phenyl]thio]-2-methyl-propionitrile Formula: C36H39BrN2S3 MolecularWeight: 675.80726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SCC(C)C#N)C2=CN(C=C(C2=S)C3=C(C=C(C=C3)SCCCCCCC4=CC=CC=C4)Br)C

Isomeric SMILES

CCC1=C(C=CC(=C1)SCC(C)C#N)C2=CN(C=C(C2=S)C3=C(C=C(C=C3)SCCCCCCC4=CC=CC=C4)Br)C

InChI

InChI=1S/C36H39BrN2S3/c1-4-28-20-29(42-25-26(2)22-38)15-17-31(28)33-23-39(3)24-34(36(33)40)32-18-16-30(21-35(32)37)41-19-11-6-5-8-12-27-13-9-7-10-14-27/h7,9-10,13-18,20-21,23-24,26H,4-6,8,11-12,19,25H2,1-3H3