7-chloranyl-3-pentyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-chloranyl-3-pentyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-chloro-3-pentyl-2-thioxo-quinazolin-4-olate CAS Name: 7-chloro-3-pentyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-chloro-3-pentyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-amyl-7-chloro-2-thioxo-quinazolin-4-olate Formula: C13H14ClN2OS- MolecularWeight: 281.78106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C2C=CC(=CC2=NC1=S)Cl)[O-]

Isomeric SMILES

CCCCCN1C(=C2C=CC(=CC2=NC1=S)Cl)[O-]

InChI

InChI=1S/C13H15ClN2OS/c1-2-3-4-7-16-12(17)10-6-5-9(14)8-11(10)15-13(16)18/h5-6,8,17H,2-4,7H2,1H3/p-1