N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-iodanyl-2-methyl-aniline

Systemtic Name: N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-iodanyl-2-methyl-aniline Openeye Name: N-[diisopropoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-iodo-2-methyl-aniline CAS Name: N-[di(propan-2-yloxy)phosphoryl-[4-(methylthio)phenyl]methyl]-4-iodo-2-methylaniline IUPAC Name: N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-iodo-2-methylaniline Traditional Name: [diisopropoxyphosphoryl-[4-(methylthio)phenyl]methyl]-(4-iodo-2-methyl-phenyl)amine Formula: C21H29INO3PS MolecularWeight: 533.403091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(C2=CC=C(C=C2)SC)P(=O)(OC(C)C)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(C2=CC=C(C=C2)SC)P(=O)(OC(C)C)OC(C)C

InChI

InChI=1S/C21H29INO3PS/c1-14(2)25-27(24,26-15(3)4)21(17-7-10-19(28-6)11-8-17)23-20-12-9-18(22)13-16(20)5/h7-15,21,23H,1-6H3