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

Systemtic Name: 3-[3-[5-(2-bromanyl-4-phenethylsulfanyl-phenyl)-1-methyl-4-sulfanylidene-pyridin-3-yl]-2-ethyl-phenyl]sulfanyl-2-methyl-propanenitrile Openeye Name: 3-[3-[5-(2-bromo-4-phenethylsulfanyl-phenyl)-1-methyl-4-thioxo-3-pyridyl]-2-ethyl-phenyl]sulfanyl-2-methyl-propanenitrile CAS Name: 3-[[3-[5-[2-bromo-4-(phenethylthio)phenyl]-1-methyl-4-sulfanylidene-3-pyridinyl]-2-ethylphenyl]thio]-2-methylpropanenitrile IUPAC Name: 3-[3-[5-(2-bromo-4-phenethylsulfanylphenyl)-1-methyl-4-sulfanylidenepyridin-3-yl]-2-ethylphenyl]sulfanyl-2-methylpropanenitrile Traditional Name: 3-[[3-[5-[2-bromo-4-(phenethylthio)phenyl]-1-methyl-4-thioxo-3-pyridyl]-2-ethyl-phenyl]thio]-2-methyl-propionitrile Formula: C32H31BrN2S3 MolecularWeight: 619.70094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1SCC(C)C#N)C2=CN(C=C(C2=S)C3=C(C=C(C=C3)SCCC4=CC=CC=C4)Br)C

Isomeric SMILES

CCC1=C(C=CC=C1SCC(C)C#N)C2=CN(C=C(C2=S)C3=C(C=C(C=C3)SCCC4=CC=CC=C4)Br)C

InChI

InChI=1S/C32H31BrN2S3/c1-4-25-26(11-8-12-31(25)38-21-22(2)18-34)28-19-35(3)20-29(32(28)36)27-14-13-24(17-30(27)33)37-16-15-23-9-6-5-7-10-23/h5-14,17,19-20,22H,4,15-16,21H2,1-3H3