3-(3,4-dimethoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(3,4-dimethoxybenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(3,4-dimethoxyphenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(3,4-dimethoxybenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 2-thioxo-3-veratroyl-quinazolin-4-olate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=CC=CC3=NC2=S)[O-])OC

InChI

InChI=1S/C17H14N2O4S/c1-22-13-8-7-10(9-14(13)23-2)15(20)19-16(21)11-5-3-4-6-12(11)18-17(19)24/h3-9,21H,1-2H3/p-1