bis(2-cyanoethyl) [(10-methylacridin-9-ylidene)-naphthalen-2-ylsulfanyl-methyl] phosphate

Systemtic Name: bis(2-cyanoethyl) [(10-methylacridin-9-ylidene)-naphthalen-2-ylsulfanyl-methyl] phosphate Openeye Name: bis(2-cyanoethyl) [(10-methylacridin-9-ylidene)-(2-naphthylsulfanyl)methyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [(10-methyl-9-acridinylidene)-(2-naphthalenylthio)methyl] ester IUPAC Name: bis(2-cyanoethyl) [(10-methylacridin-9-ylidene)-naphthalen-2-ylsulfanylmethyl] phosphate Traditional Name: phosphoric acid bis(2-cyanoethyl) [(10-methylacridin-9-ylidene)-(2-naphthylthio)methyl] ester Formula: C31H26N3O4PS MolecularWeight: 567.594601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C51

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(OP(=O)(OCCC#N)OCCC#N)SC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C51

InChI

InChI=1S/C31H26N3O4PS/c1-34-28-14-6-4-12-26(28)30(27-13-5-7-15-29(27)34)31(38-39(35,36-20-8-18-32)37-21-9-19-33)40-25-17-16-23-10-2-3-11-24(23)22-25/h2-7,10-17,22H,8-9,20-21H2,1H3