6-bromanyl-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-isobutyl-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-(2-methylpropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-(2-methylpropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-isobutyl-2-thioxo-quinazolin-4-olate Formula: C12H12BrN2OS- MolecularWeight: 312.20548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C2C=C(C=CC2=NC1=S)Br)[O-]

Isomeric SMILES

CC(C)CN1C(=C2C=C(C=CC2=NC1=S)Br)[O-]

InChI

InChI=1S/C12H13BrN2OS/c1-7(2)6-15-11(16)9-5-8(13)3-4-10(9)14-12(15)17/h3-5,7,16H,6H2,1-2H3/p-1