2-[(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]methyl]indolizine-1-carbonitrile Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H17BrN4OS/c1-2-8-26-20(27)16-10-15(22)6-7-18(16)24-21(26)28-13-14-12-25-9-4-3-5-19(25)17(14)11-23/h3-7,9-10,12H,2,8,13H2,1H3