3-(4-chlorophenyl)carbonyl-4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-benzenecarbonitrile

Systemtic Name: 3-(4-chlorophenyl)carbonyl-4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-benzenecarbonitrile Openeye Name: 3-(4-chlorobenzoyl)-4-[ethoxy(isobutylsulfanyl)phosphoryl]oxy-benzonitrile CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-4-[ethoxy-(2-methylpropylthio)phosphoryl]oxybenzonitrile IUPAC Name: 3-(4-chlorobenzoyl)-4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzonitrile Traditional Name: 3-(4-chlorobenzoyl)-4-[ethoxy-(isobutylthio)phosphoryl]oxy-benzonitrile Formula: C20H21ClNO4PS MolecularWeight: 437.876801

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=C(C=C(C=C1)C#N)C(=O)C2=CC=C(C=C2)Cl)SCC(C)C

Isomeric SMILES

CCOP(=O)(OC1=C(C=C(C=C1)C#N)C(=O)C2=CC=C(C=C2)Cl)SCC(C)C

InChI

InChI=1S/C20H21ClNO4PS/c1-4-25-27(24,28-13-14(2)3)26-19-10-5-15(12-22)11-18(19)20(23)16-6-8-17(21)9-7-16/h5-11,14H,4,13H2,1-3H3