phenyl 2-quinazolin-4-ylsulfanylethanesulfonate

Systemtic Name: phenyl 2-quinazolin-4-ylsulfanylethanesulfonate Openeye Name: phenyl 2-quinazolin-4-ylsulfanylethanesulfonate CAS Name: 2-(4-quinazolinylthio)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-quinazolin-4-ylsulfanylethanesulfonate Traditional Name: 2-(quinazolin-4-ylthio)ethanesulfonic acid phenyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H14N2O3S2/c19-23(20,21-13-6-2-1-3-7-13)11-10-22-16-14-8-4-5-9-15(14)17-12-18-16/h1-9,12H,10-11H2