2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C17H13ClN3O3S- MolecularWeight: 374.82142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-24-14-7-6-10(8-12(14)18)19-15(22)9-25-17-20-13-5-3-2-4-11(13)16(23)21-17/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23)/p-1