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

Systemtic Name: 2-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C20H17N4O3S- MolecularWeight: 393.43898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C20H18N4O3S/c1-27-17-10-5-4-9-16(17)24(12-6-11-21)18(25)13-28-20-22-15-8-3-2-7-14(15)19(26)23-20/h2-5,7-10H,6,12-13H2,1H3,(H,22,23,26)/p-1