3-(3,5-dimethylphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(3,5-dimethylphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(3,5-dimethylbenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(3,5-dimethylphenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(3,5-dimethylbenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(3,5-dimethylbenzoyl)-2-thioxo-quinazolin-4-olate Formula: C17H13N2O2S- MolecularWeight: 309.36232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])C

InChI

InChI=1S/C17H14N2O2S/c1-10-7-11(2)9-12(8-10)15(20)19-16(21)13-5-3-4-6-14(13)18-17(19)22/h3-9,21H,1-2H3/p-1