5-(7-bromanyl-4H-quinoxalin-1-yl)-2-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-benzenethiol

Systemtic Name: 5-(7-bromanyl-4H-quinoxalin-1-yl)-2-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-benzenethiol Openeye Name: 5-(7-bromo-4H-quinoxalin-1-yl)-2-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-benzenethiol CAS Name: 5-(7-bromo-4H-quinoxalin-1-yl)-2-[ethoxy-(propylthio)phosphinothioyl]oxybenzenethiol IUPAC Name: 5-(7-bromo-4H-quinoxalin-1-yl)-2-[ethoxy(propylsulfanyl)phosphinothioyl]oxybenzenethiol Traditional Name: 5-(7-bromo-4H-quinoxalin-1-yl)-2-[ethoxy-(propylthio)thiophosphoryl]oxy-benzenethiol Formula: C19H22BrN2O2PS3 MolecularWeight: 517.462941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=S)(OCC)OC1=C(C=C(C=C1)N2C=CNC3=C2C=C(C=C3)Br)S

Isomeric SMILES

CCCSP(=S)(OCC)OC1=C(C=C(C=C1)N2C=CNC3=C2C=C(C=C3)Br)S

InChI

InChI=1S/C19H22BrN2O2PS3/c1-3-11-28-25(27,23-4-2)24-18-8-6-15(13-19(18)26)22-10-9-21-16-7-5-14(20)12-17(16)22/h5-10,12-13,21,26H,3-4,11H2,1-2H3