3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-(2-furylmethylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-[(2-furanylmethylthio)methyl]-4-methoxyphenyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-[(2-furfurylthio)methyl]-4-methoxy-phenyl]acrylonitrile Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)CSCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)CSCC3=CC=CO3

InChI

InChI=1S/C22H19NO4S2/c1-26-22-10-9-17(12-18(22)15-28-16-19-6-5-11-27-19)13-21(14-23)29(24,25)20-7-3-2-4-8-20/h2-13H,15-16H2,1H3