bis(2-cyanoethyl) [(2,6-dimethylphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate

Systemtic Name: bis(2-cyanoethyl) [(2,6-dimethylphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Openeye Name: bis(2-cyanoethyl) [(2,6-dimethylphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [[(2,6-dimethylphenyl)thio]-(10-methyl-9-acridinylidene)methyl] ester IUPAC Name: bis(2-cyanoethyl) [(2,6-dimethylphenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Traditional Name: phosphoric acid bis(2-cyanoethyl) [[(2,6-dimethylphenyl)thio]-(10-methylacridin-9-ylidene)methyl] ester Formula: C29H28N3O4PS MolecularWeight: 545.589081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SC(=C2C3=CC=CC=C3N(C4=CC=CC=C42)C)OP(=O)(OCCC#N)OCCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)SC(=C2C3=CC=CC=C3N(C4=CC=CC=C42)C)OP(=O)(OCCC#N)OCCC#N

InChI

InChI=1S/C29H28N3O4PS/c1-21-11-8-12-22(2)28(21)38-29(36-37(33,34-19-9-17-30)35-20-10-18-31)27-23-13-4-6-15-25(23)32(3)26-16-7-5-14-24(26)27/h4-8,11-16H,9-10,19-20H2,1-3H3