2-[2-(cyclobuten-1-yl)-5-[5-(4-ethenylsulfonylphenyl)-1-methyl-4-sulfanylidene-pyridin-3-yl]phenyl]ethanenitrile

Systemtic Name: 2-[2-(cyclobuten-1-yl)-5-[5-(4-ethenylsulfonylphenyl)-1-methyl-4-sulfanylidene-pyridin-3-yl]phenyl]ethanenitrile Openeye Name: 2-[2-(cyclobuten-1-yl)-5-[1-methyl-4-thioxo-5-(4-vinylsulfonylphenyl)-3-pyridyl]phenyl]acetonitrile CAS Name: 2-[2-(1-cyclobutenyl)-5-[5-(4-ethenylsulfonylphenyl)-1-methyl-4-sulfanylidene-3-pyridinyl]phenyl]acetonitrile IUPAC Name: 2-[2-(cyclobuten-1-yl)-5-[5-(4-ethenylsulfonylphenyl)-1-methyl-4-sulfanylidenepyridin-3-yl]phenyl]acetonitrile Traditional Name: 2-[2-(cyclobuten-1-yl)-5-[1-methyl-4-thioxo-5-(4-vinylsulfonylphenyl)-3-pyridyl]phenyl]acetonitrile Formula: C26H22N2O2S2 MolecularWeight: 458.59508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C(=C1)C2=CC(=C(C=C2)C3=CCC3)CC#N)C4=CC=C(C=C4)S(=O)(=O)C=C

Isomeric SMILES

CN1C=C(C(=S)C(=C1)C2=CC(=C(C=C2)C3=CCC3)CC#N)C4=CC=C(C=C4)S(=O)(=O)C=C

InChI

InChI=1S/C26H22N2O2S2/c1-3-32(29,30)22-10-7-19(8-11-22)24-16-28(2)17-25(26(24)31)20-9-12-23(18-5-4-6-18)21(15-20)13-14-27/h3,5,7-12,15-17H,1,4,6,13H2,2H3