(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-tosyl-acrylonitrile Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC#C)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OCC#C)OC)/C#N

InChI

InChI=1S/C20H16ClNO4S/c1-4-9-26-20-18(21)11-15(12-19(20)25-3)10-17(13-22)27(23,24)16-7-5-14(2)6-8-16/h1,5-8,10-12H,9H2,2-3H3/b17-10+