5,6-bis[(4-fluorophenyl)amino]-6-[(3E)-3-methylsulfanyliminopropyl]-3aH-isoindole-1,3-dione

Systemtic Name: 5,6-bis[(4-fluorophenyl)amino]-6-[(3E)-3-methylsulfanyliminopropyl]-3aH-isoindole-1,3-dione Openeye Name: 5,6-bis(4-fluoroanilino)-6-[(3E)-3-methylsulfanyliminopropyl]-3aH-isoindole-1,3-dione CAS Name: (NE)-N-[3-[5,6-bis(4-fluoroanilino)-1,3-dioxo-7aH-isoindol-5-yl]propylidene]methanesulfenamide IUPAC Name: 5,6-bis(4-fluoroanilino)-6-[(3E)-3-methylsulfanyliminopropyl]-3aH-isoindole-1,3-dione Traditional Name: 5,6-bis(4-fluoroanilino)-6-[(3E)-3-(methylthio)iminopropyl]-3aH-isoindole-1,3-quinone Formula: C24H22F2N4O2S MolecularWeight: 468.518886

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Descriptors Computed from Structure

Canonical SMILES:

CSN=CCCC1(C=C2C(C=C1NC3=CC=C(C=C3)F)C(=O)NC2=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CS/N=C/CCC1(C=C2C(C=C1NC3=CC=C(C=C3)F)C(=O)NC2=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H22F2N4O2S/c1-33-27-12-2-11-24(30-18-9-5-16(26)6-10-18)14-20-19(22(31)29-23(20)32)13-21(24)28-17-7-3-15(25)4-8-17/h3-10,12-14,19,28,30H,2,11H2,1H3,(H,29,31,32)/b27-12+