6-bromanyl-2-[4-[[ethoxy(ethylsulfanyl)phosphoryl]oxymethyl]phenyl]-1H-quinazoline-4-thione

Systemtic Name: 6-bromanyl-2-[4-[[ethoxy(ethylsulfanyl)phosphoryl]oxymethyl]phenyl]-1H-quinazoline-4-thione Openeye Name: 6-bromo-2-[4-[[ethoxy(ethylsulfanyl)phosphoryl]oxymethyl]phenyl]-1H-quinazoline-4-thione CAS Name: 6-bromo-2-[4-[[ethoxy-(ethylthio)phosphoryl]oxymethyl]phenyl]-1H-quinazoline-4-thione IUPAC Name: 6-bromo-2-[4-[[ethoxy(ethylsulfanyl)phosphoryl]oxymethyl]phenyl]-1H-quinazoline-4-thione Traditional Name: 6-bromo-2-[4-[[ethoxy-(ethylthio)phosphoryl]oxymethyl]phenyl]-1H-quinazoline-4-thione Formula: C19H20BrN2O3PS2 MolecularWeight: 499.381461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC1=CC=C(C=C1)C2=NC(=S)C3=C(N2)C=CC(=C3)Br)SCC

Isomeric SMILES

CCOP(=O)(OCC1=CC=C(C=C1)C2=NC(=S)C3=C(N2)C=CC(=C3)Br)SCC

InChI

InChI=1S/C19H20BrN2O3PS2/c1-3-24-26(23,28-4-2)25-12-13-5-7-14(8-6-13)18-21-17-10-9-15(20)11-16(17)19(27)22-18/h5-11H,3-4,12H2,1-2H3,(H,21,22,27)