2-[(5-bromanyl-2-methoxy-4-morpholin-4-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(5-bromanyl-2-methoxy-4-morpholin-4-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[5-bromo-2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[5-bromo-2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[5-bromo-2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[5-bromo-2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile Formula: C20H19BrN2O3S MolecularWeight: 447.34546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=S)N2CCOCC2)Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=S)N2CCOCC2)Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H19BrN2O3S/c1-24-18-10-16(20(27)23-6-8-25-9-7-23)17(21)11-19(18)26-13-15-5-3-2-4-14(15)12-22/h2-5,10-11H,6-9,13H2,1H3