N-[6-bromanyl-7-[[3-(methylsulfonimidoyl)phenyl]methoxy]quinazolin-4-yl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[6-bromanyl-7-[[3-(methylsulfonimidoyl)phenyl]methoxy]quinazolin-4-yl]-1,3,4-thiadiazol-2-amine Openeye Name: N-[6-bromo-7-[[3-(methylsulfonimidoyl)phenyl]methoxy]quinazolin-4-yl]-1,3,4-thiadiazol-2-amine CAS Name: N-[6-bromo-7-[[3-(methylsulfonimidoyl)phenyl]methoxy]-4-quinazolinyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[6-bromo-7-[[3-(methylsulfonimidoyl)phenyl]methoxy]quinazolin-4-yl]-1,3,4-thiadiazol-2-amine Traditional Name: [6-bromo-7-[3-(methylsulfonimidoyl)benzyl]oxy-quinazolin-4-yl]-(1,3,4-thiadiazol-2-yl)amine Formula: C18H15BrN6O2S2 MolecularWeight: 491.3847

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Descriptors Computed from Structure

Canonical SMILES:

CS(=N)(=O)C1=CC=CC(=C1)COC2=C(C=C3C(=C2)N=CN=C3NC4=NN=CS4)Br

Isomeric SMILES

CS(=N)(=O)C1=CC=CC(=C1)COC2=C(C=C3C(=C2)N=CN=C3NC4=NN=CS4)Br

InChI

InChI=1S/C18H15BrN6O2S2/c1-29(20,26)12-4-2-3-11(5-12)8-27-16-7-15-13(6-14(16)19)17(22-9-21-15)24-18-25-23-10-28-18/h2-7,9-10,20H,8H2,1H3,(H,21,22,24,25)