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

Systemtic Name: [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] bis(2-cyanoethyl) phosphate Openeye Name: [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] bis(2-cyanoethyl) phosphate CAS Name: phosphoric acid [[(4-chlorophenyl)thio]-(10-methyl-9-acridinylidene)methyl] bis(2-cyanoethyl) ester IUPAC Name: [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] bis(2-cyanoethyl) phosphate Traditional Name: phosphoric acid [[(4-chlorophenyl)thio]-(10-methylacridin-9-ylidene)methyl] bis(2-cyanoethyl) ester Formula: C27H23ClN3O4PS MolecularWeight: 551.980981

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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)Cl)C4=CC=CC=C41

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN3O4PS/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