6,8-bis(chloranyl)-3-(3-propoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6,8-bis(chloranyl)-3-(3-propoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6,8-dichloro-3-(3-propoxybenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6,8-dichloro-3-[oxo-(3-propoxyphenyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6,8-dichloro-3-(3-propoxybenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6,8-dichloro-3-(3-propoxybenzoyl)-2-thioxo-quinazolin-4-olate Formula: C18H13Cl2N2O3S- MolecularWeight: 408.27842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)N2C(=C3C=C(C=C(C3=NC2=S)Cl)Cl)[O-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)N2C(=C3C=C(C=C(C3=NC2=S)Cl)Cl)[O-]

InChI

InChI=1S/C18H14Cl2N2O3S/c1-2-6-25-12-5-3-4-10(7-12)16(23)22-17(24)13-8-11(19)9-14(20)15(13)21-18(22)26/h3-5,7-9,24H,2,6H2,1H3/p-1