4-[2-methylpentylsulfanyl(oxidanyl)phosphinothioyl]benzenecarbonitrile

Systemtic Name: 4-[2-methylpentylsulfanyl(oxidanyl)phosphinothioyl]benzenecarbonitrile Openeye Name: 4-[hydroxy(2-methylpentylsulfanyl)phosphinothioyl]benzonitrile CAS Name: 4-[hydroxy-(2-methylpentylthio)phosphinothioyl]benzonitrile IUPAC Name: 4-[hydroxy(2-methylpentylsulfanyl)phosphinothioyl]benzonitrile Traditional Name: 4-[hydroxy-(2-methylpentylthio)thiophosphoryl]benzonitrile Formula: C13H18NOPS2 MolecularWeight: 299.391881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CSP(=S)(C1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCCC(C)CSP(=S)(C1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C13H18NOPS2/c1-3-4-11(2)10-18-16(15,17)13-7-5-12(9-14)6-8-13/h5-8,11H,3-4,10H2,1-2H3,(H,15,17)