3-[4-(2-cyano-2-pyridin-2-ylsulfonyl-ethenyl)phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: 3-[4-(2-cyano-2-pyridin-2-ylsulfonyl-ethenyl)phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[2-cyano-2-(2-pyridylsulfonyl)vinyl]phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: 3-[4-[2-cyano-2-(2-pyridinylsulfonyl)ethenyl]phenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: 3-[4-(2-cyano-2-pyridin-2-ylsulfonylethenyl)phenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: 3-[4-[2-cyano-2-(2-pyridylsulfonyl)vinyl]phenyl]-2-mesyl-acrylonitrile Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=N2)C#N

Isomeric SMILES

CS(=O)(=O)C(=CC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=N2)C#N

InChI

InChI=1S/C18H13N3O4S2/c1-26(22,23)16(12-19)10-14-5-7-15(8-6-14)11-17(13-20)27(24,25)18-4-2-3-9-21-18/h2-11H,1H3