3-[(diphenylphosphinothioylamino)-(4-methylphenyl)methyl]but-3-en-2-one

Systemtic Name: 3-[(diphenylphosphinothioylamino)-(4-methylphenyl)methyl]but-3-en-2-one Openeye Name: 3-[(diphenylphosphinothioylamino)-(p-tolyl)methyl]but-3-en-2-one CAS Name: 3-[(diphenylphosphinothioylamino)-(4-methylphenyl)methyl]-3-buten-2-one IUPAC Name: 3-[(diphenylphosphinothioylamino)-(4-methylphenyl)methyl]but-3-en-2-one Traditional Name: 3-[(diphenylthiophosphorylamino)-(p-tolyl)methyl]but-3-en-2-one Formula: C24H24NOPS MolecularWeight: 405.492221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=C)C(=O)C)NP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=C)C(=O)C)NP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H24NOPS/c1-18-14-16-21(17-15-18)24(19(2)20(3)26)25-27(28,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,24H,2H2,1,3H3,(H,25,28)