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

Systemtic Name: 3-[(diphenylphosphinothioylamino)-(4-nitrophenyl)methyl]but-3-en-2-one Openeye Name: 3-[(diphenylphosphinothioylamino)-(4-nitrophenyl)methyl]but-3-en-2-one CAS Name: 3-[(diphenylphosphinothioylamino)-(4-nitrophenyl)methyl]-3-buten-2-one IUPAC Name: 3-[(diphenylphosphinothioylamino)-(4-nitrophenyl)methyl]but-3-en-2-one Traditional Name: 3-[(diphenylthiophosphorylamino)-(4-nitrophenyl)methyl]but-3-en-2-one Formula: C23H21N2O3PS MolecularWeight: 436.463201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)C(C1=CC=C(C=C1)[N+](=O)[O-])NP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C(=C)C(C1=CC=C(C=C1)[N+](=O)[O-])NP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H21N2O3PS/c1-17(18(2)26)23(19-13-15-20(16-14-19)25(27)28)24-29(30,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23H,1H2,2H3,(H,24,30)