3-[(3-fluorophenyl)amino]-4-(furan-2-ylmethylsulfanyl)-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-[(3-fluorophenyl)amino]-4-(furan-2-ylmethylsulfanyl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3-fluoroanilino)-4-(2-furylmethylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3-fluoroanilino)-4-(2-furanylmethylthio)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3-fluoroanilino)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3-fluoroanilino)-4-(2-furfurylthio)-3-pyrroline-2,5-quinone Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SCC3=CC=CO3)NC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SCC3=CC=CO3)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H17FN2O3S/c23-16-8-4-9-17(12-16)24-19-20(29-14-18-10-5-11-28-18)22(27)25(21(19)26)13-15-6-2-1-3-7-15/h1-12,24H,13-14H2