3-[(1-cyano-3-phenyl-propan-2-yl)oxy-(1-cyano-3-phenyl-propan-2-yl)sulfanyl-phosphoryl]oxy-4-phenyl-butanenitrile

Systemtic Name: 3-[(1-cyano-3-phenyl-propan-2-yl)oxy-(1-cyano-3-phenyl-propan-2-yl)sulfanyl-phosphoryl]oxy-4-phenyl-butanenitrile Openeye Name: 3-[(1-benzyl-2-cyano-ethoxy)-(1-benzyl-2-cyano-ethyl)sulfanyl-phosphoryl]oxy-4-phenyl-butanenitrile CAS Name: 3-[(1-cyano-3-phenylpropan-2-yl)oxy-[(1-cyano-3-phenylpropan-2-yl)thio]phosphoryl]oxy-4-phenylbutanenitrile IUPAC Name: 3-[(1-cyano-3-phenylpropan-2-yl)oxy-(1-cyano-3-phenylpropan-2-yl)sulfanylphosphoryl]oxy-4-phenylbutanenitrile Traditional Name: 3-[(1-benzyl-2-cyano-ethoxy)-[(1-benzyl-2-cyano-ethyl)thio]phosphoryl]oxy-4-phenyl-butyronitrile Formula: C30H30N3O3PS MolecularWeight: 543.616261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC#N)OP(=O)(OC(CC#N)CC2=CC=CC=C2)SC(CC#N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CC#N)OP(=O)(OC(CC#N)CC2=CC=CC=C2)SC(CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C30H30N3O3PS/c31-19-16-28(22-25-10-4-1-5-11-25)35-37(34,36-29(17-20-32)23-26-12-6-2-7-13-26)38-30(18-21-33)24-27-14-8-3-9-15-27/h1-15,28-30H,16-18,22-24H2