2-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C18H14BrN3OS MolecularWeight: 400.29226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H14BrN3OS/c1-2-22-17(23)15-9-14(19)7-8-16(15)21-18(22)24-11-13-6-4-3-5-12(13)10-20/h3-9H,2,11H2,1H3