6-bromanyl-3-pentyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-pentyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-pentyl-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-pentyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-pentyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-amyl-6-bromo-2-thioxo-quinazolin-4-olate Formula: C13H14BrN2OS- MolecularWeight: 326.23206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C2C=C(C=CC2=NC1=S)Br)[O-]

Isomeric SMILES

CCCCCN1C(=C2C=C(C=CC2=NC1=S)Br)[O-]

InChI

InChI=1S/C13H15BrN2OS/c1-2-3-4-7-16-12(17)10-8-9(14)5-6-11(10)15-13(16)18/h5-6,8,17H,2-4,7H2,1H3/p-1