[[2,7-bis(fluoranyl)-10-methyl-acridin-9-ylidene]-phenylsulfanyl-methyl] bis(2-cyanoethyl) phosphate

Systemtic Name: [[2,7-bis(fluoranyl)-10-methyl-acridin-9-ylidene]-phenylsulfanyl-methyl] bis(2-cyanoethyl) phosphate Openeye Name: bis(2-cyanoethyl) [(2,7-difluoro-10-methyl-acridin-9-ylidene)-phenylsulfanyl-methyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [(2,7-difluoro-10-methyl-9-acridinylidene)-(phenylthio)methyl] ester IUPAC Name: bis(2-cyanoethyl) [(2,7-difluoro-10-methylacridin-9-ylidene)-phenylsulfanylmethyl] phosphate Traditional Name: phosphoric acid bis(2-cyanoethyl) [(2,7-difluoro-10-methyl-acridin-9-ylidene)-(phenylthio)methyl] ester Formula: C27H22F2N3O4PS MolecularWeight: 553.516847

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC=CC=C3)C4=C1C=CC(=C4)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC=CC=C3)C4=C1C=CC(=C4)F

InChI

InChI=1S/C27H22F2N3O4PS/c1-32-24-11-9-19(28)17-22(24)26(23-18-20(29)10-12-25(23)32)27(38-21-7-3-2-4-8-21)36-37(33,34-15-5-13-30)35-16-6-14-31/h2-4,7-12,17-18H,5-6,15-16H2,1H3