(2R)-2-[6-bromanyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: (2R)-2-[6-bromanyl-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2R)-2-[6-bromo-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: (2R)-2-[[6-bromo-3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-[6-bromo-3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[[6-bromo-3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC3=CCCCC3

Isomeric SMILES

C[C@H](C#N)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC3=CCCCC3

InChI

InChI=1S/C19H20BrN3OS/c1-13(12-21)25-19-22-17-8-7-15(20)11-16(17)18(24)23(19)10-9-14-5-3-2-4-6-14/h5,7-8,11,13H,2-4,6,9-10H2,1H3/t13-/m1/s1