(E)-3-[(4-fluorophenyl)methylsulfanyl]-3-phenylazanyl-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[(4-fluorophenyl)methylsulfanyl]-3-phenylazanyl-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-3-anilino-2-(benzenesulfonyl)-3-[(4-fluorophenyl)methylsulfanyl]prop-2-enenitrile CAS Name: (E)-3-anilino-2-(benzenesulfonyl)-3-[(4-fluorophenyl)methylthio]-2-propenenitrile IUPAC Name: (E)-3-anilino-2-(benzenesulfonyl)-3-[(4-fluorophenyl)methylsulfanyl]prop-2-enenitrile Traditional Name: (E)-3-anilino-2-besyl-3-[(4-fluorobenzyl)thio]acrylonitrile Formula: C22H17FN2O2S2 MolecularWeight: 424.510983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=C(C#N)S(=O)(=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N/C(=C(/C#N)\S(=O)(=O)C2=CC=CC=C2)/SCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H17FN2O2S2/c23-18-13-11-17(12-14-18)16-28-22(25-19-7-3-1-4-8-19)21(15-24)29(26,27)20-9-5-2-6-10-20/h1-14,25H,16H2/b22-21+