(2,3,4,5,6-pentamethylphenyl)methyl 1-diphenylphosphoryl-N-methyl-methanimidothioate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl 1-diphenylphosphoryl-N-methyl-methanimidothioate Openeye Name: (2,3,4,5,6-pentamethylphenyl)methyl 1-diphenylphosphoryl-N-methyl-methanimidothioate CAS Name: 1-diphenylphosphoryl-N-methylmethanimidothioic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl 1-diphenylphosphoryl-N-methylmethanimidothioate Traditional Name: 1-diphenylphosphoryl-N-methyl-thioformimidic acid (2,3,4,5,6-pentamethylbenzyl) ester Formula: C26H30NOPS MolecularWeight: 435.561261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=NC)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC(=NC)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C26H30NOPS/c1-18-19(2)21(4)25(22(5)20(18)3)17-30-26(27-6)29(28,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16H,17H2,1-6H3