3-(dibutylphosphanylmethyl)-2-methyl-4-(4-nitrophenyl)sulfanyl-4-pyridin-3-yl-butanenitrile

Systemtic Name: 3-(dibutylphosphanylmethyl)-2-methyl-4-(4-nitrophenyl)sulfanyl-4-pyridin-3-yl-butanenitrile Openeye Name: 3-(dibutylphosphanylmethyl)-2-methyl-4-(4-nitrophenyl)sulfanyl-4-(3-pyridyl)butanenitrile CAS Name: 3-(dibutylphosphinomethyl)-2-methyl-4-[(4-nitrophenyl)thio]-4-(3-pyridinyl)butanenitrile IUPAC Name: 3-(dibutylphosphanylmethyl)-2-methyl-4-(4-nitrophenyl)sulfanyl-4-pyridin-3-ylbutanenitrile Traditional Name: 3-(dibutylphosphinomethyl)-2-methyl-4-[(4-nitrophenyl)thio]-4-(3-pyridyl)butyronitrile Formula: C25H34N3O2PS MolecularWeight: 471.595121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCP(CCCC)CC(C(C)C#N)C(C1=CN=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCP(CCCC)CC(C(C)C#N)C(C1=CN=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H34N3O2PS/c1-4-6-15-31(16-7-5-2)19-24(20(3)17-26)25(21-9-8-14-27-18-21)32-23-12-10-22(11-13-23)28(29)30/h8-14,18,20,24-25H,4-7,15-16,19H2,1-3H3