6-bromanyl-3-(4-butoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-(4-butoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-(4-butoxybenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[(4-butoxyphenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-(4-butoxybenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-(4-butoxybenzoyl)-2-thioxo-quinazolin-4-olate Formula: C19H16BrN2O3S- MolecularWeight: 432.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

InChI=1S/C19H17BrN2O3S/c1-2-3-10-25-14-7-4-12(5-8-14)17(23)22-18(24)15-11-13(20)6-9-16(15)21-19(22)26/h4-9,11,24H,2-3,10H2,1H3/p-1