4-[4-[propoxy(propylsulfanyl)phosphinothioyl]oxyphenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[propoxy(propylsulfanyl)phosphinothioyl]oxyphenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[propoxy(propylsulfanyl)phosphinothioyl]oxybenzoyl]benzonitrile CAS Name: 4-[oxo-[4-[propoxy-(propylthio)phosphinothioyl]oxyphenyl]methyl]benzonitrile IUPAC Name: 4-[4-[propoxy(propylsulfanyl)phosphinothioyl]oxybenzoyl]benzonitrile Traditional Name: 4-[4-[propoxy-(propylthio)thiophosphoryl]oxybenzoyl]benzonitrile Formula: C20H22NO3PS2 MolecularWeight: 419.497341

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=S)(OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N)SCCC

Isomeric SMILES

CCCOP(=S)(OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N)SCCC

InChI

InChI=1S/C20H22NO3PS2/c1-3-13-23-25(26,27-14-4-2)24-19-11-9-18(10-12-19)20(22)17-7-5-16(15-21)6-8-17/h5-12H,3-4,13-14H2,1-2H3