3-[(4-fluorophenyl)amino]-2-(2-methylfuran-3-yl)carbonyl-3-methylsulfanyl-prop-2-enenitrile

Systemtic Name: 3-[(4-fluorophenyl)amino]-2-(2-methylfuran-3-yl)carbonyl-3-methylsulfanyl-prop-2-enenitrile Openeye Name: 3-(4-fluoroanilino)-2-(2-methylfuran-3-carbonyl)-3-methylsulfanyl-prop-2-enenitrile CAS Name: 3-(4-fluoroanilino)-2-[(2-methyl-3-furanyl)-oxomethyl]-3-(methylthio)-2-propenenitrile IUPAC Name: 3-(4-fluoroanilino)-2-(2-methylfuran-3-carbonyl)-3-methylsulfanylprop-2-enenitrile Traditional Name: 3-(4-fluoroanilino)-2-(2-methyl-3-furoyl)-3-(methylthio)acrylonitrile Formula: C16H13FN2O2S MolecularWeight: 316.350023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=C(NC2=CC=C(C=C2)F)SC)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)C(=C(NC2=CC=C(C=C2)F)SC)C#N

InChI

InChI=1S/C16H13FN2O2S/c1-10-13(7-8-21-10)15(20)14(9-18)16(22-2)19-12-5-3-11(17)4-6-12/h3-8,19H,1-2H3