2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H17N3O2S/c1-2-12-7-9-13(10-8-12)19-16(22)11-24-18-20-15-6-4-3-5-14(15)17(23)21-18/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21,23)/p-1