bis(2-cyanoethyl) [(4-fluorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate

Systemtic Name: bis(2-cyanoethyl) [(4-fluorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Openeye Name: bis(2-cyanoethyl) [(4-fluorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [[(4-fluorophenyl)thio]-(10-methyl-9-acridinylidene)methyl] ester IUPAC Name: bis(2-cyanoethyl) [(4-fluorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Traditional Name: phosphoric acid bis(2-cyanoethyl) [[(4-fluorophenyl)thio]-(10-methylacridin-9-ylidene)methyl] ester Formula: C27H23FN3O4PS MolecularWeight: 535.526384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC=C(C=C3)F)C4=CC=CC=C41

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC=C(C=C3)F)C4=CC=CC=C41

InChI

InChI=1S/C27H23FN3O4PS/c1-31-24-10-4-2-8-22(24)26(23-9-3-5-11-25(23)31)27(37-21-14-12-20(28)13-15-21)35-36(32,33-18-6-16-29)34-19-7-17-30/h2-5,8-15H,6-7,18-19H2,1H3